REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3p9p_1_D DATA FIRST_RESID 28 DATA SEQUENCE SLAPEDGSHR PAAEPTPPGA QPTAPGSLKA PDTRNEKLNS LEDVRKGSEN DATA SEQUENCE YALTTNQGVR IADDQNSLRA GSRGPTLLED FILREKITHF DHERIPERIV DATA SEQUENCE HARGSAAHGY FQPYKSLSDI TKADFLSDPN KITPVFVRFS TVQGGAGSAD DATA SEQUENCE TVRDIRGFAT KFYTEEGIFD LVGNNTPIFF IQDAHKFPDF VHAVKPEPHW DATA SEQUENCE AIPQGQSAHD TFWDYVSLQP ETLHNVMWAM SDRGIPRSYR TMEGFGVHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT CPYHNFQRDG MHRMGIDTNP ANYEPNSIND NWPRETPPGP DATA SEQUENCE KRGGFESYQE RVEGNKVRER SPSFGEYYSH PRLFWLSQTP FEQRHIVDGF DATA SEQUENCE SFELSKVVRP YIRERVVDQL AHIDLTLAQA VAKNLGIELT DDQLNITPPP DATA SEQUENCE DVNGLKKDPS LSLYAIPDGD VKGRVVAILL NDEVRSADLL AILKALKAKG DATA SEQUENCE VHAKLLYSRM GEVTADDGTV LPIAATFAGA PSLTVDAVIV PCGNIADIAD DATA SEQUENCE NGDANYYLME AYKHLKPIAL AGDARKFKAT IKIADQGEEG IVEADSADGS DATA SEQUENCE FMDELLTLMA AHRVWSRIPK IDKIPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 28 S HA 0.000 nan 4.470 nan 0.000 0.327 28 S C 0.000 174.564 174.600 -0.061 0.000 1.055 28 S CA 0.000 58.172 58.200 -0.046 0.000 1.107 28 S CB 0.000 63.175 63.200 -0.042 0.000 0.593 29 L N 0.895 122.075 121.223 -0.072 0.000 2.446 29 L HA 0.343 4.697 4.340 0.024 0.000 0.219 29 L C 1.399 178.192 176.870 -0.129 0.000 1.116 29 L CA 0.249 55.042 54.840 -0.079 0.000 0.844 29 L CB -0.285 41.738 42.059 -0.059 0.000 0.970 29 L HN 0.676 nan 8.230 nan 0.000 0.457 30 A N 1.707 124.398 122.820 -0.216 0.000 2.445 30 A HA 0.357 4.692 4.320 0.024 0.000 0.242 30 A C -1.932 175.496 177.584 -0.260 0.000 1.075 30 A CA -0.937 50.847 52.037 -0.421 0.000 0.777 30 A CB -0.566 17.929 19.000 -0.841 0.000 1.013 30 A HN 0.005 nan 8.150 nan 0.000 0.493 31 P HA 0.078 nan 4.420 nan 0.000 0.268 31 P C -0.001 177.277 177.300 -0.036 0.000 1.205 31 P CA 0.067 63.129 63.100 -0.063 0.000 0.771 31 P CB 0.607 32.309 31.700 0.004 0.000 0.858 32 E N 1.404 121.595 120.200 -0.015 0.000 2.204 32 E HA -0.181 4.184 4.350 0.024 0.000 0.194 32 E C 1.120 177.740 176.600 0.033 0.000 0.989 32 E CA 1.174 57.576 56.400 0.003 0.000 0.824 32 E CB -0.223 29.476 29.700 -0.002 0.000 0.756 32 E HN 0.606 nan 8.360 nan 0.000 0.477 33 D N 0.330 120.754 120.400 0.040 0.000 2.378 33 D HA -0.067 4.587 4.640 0.024 0.000 0.222 33 D C 1.384 177.734 176.300 0.084 0.000 0.980 33 D CA 0.923 54.954 54.000 0.051 0.000 0.907 33 D CB -0.278 40.545 40.800 0.038 0.000 0.899 33 D HN 0.226 nan 8.370 nan 0.000 0.527 34 G N 0.090 108.986 108.800 0.160 0.000 2.155 34 G HA2 -0.357 3.617 3.960 0.024 0.000 0.257 34 G HA3 -0.357 3.617 3.960 0.024 0.000 0.257 34 G C 1.025 176.009 174.900 0.140 0.000 0.983 34 G CA 0.962 46.192 45.100 0.217 0.000 0.676 34 G HN 0.743 nan 8.290 nan 0.000 0.528 35 S N 0.489 116.287 115.700 0.164 0.000 2.607 35 S HA -0.027 4.457 4.470 0.024 0.000 0.224 35 S C 1.928 176.587 174.600 0.098 0.000 0.969 35 S CA 1.125 59.377 58.200 0.085 0.000 0.927 35 S CB -0.526 62.713 63.200 0.066 0.000 0.772 35 S HN 0.940 nan 8.310 nan 0.000 0.533 36 H N 1.179 120.256 119.070 0.011 0.000 2.524 36 H HA 0.232 4.803 4.556 0.024 0.000 0.282 36 H C 0.813 176.153 175.328 0.020 0.000 1.016 36 H CA 0.524 56.580 56.048 0.013 0.000 1.270 36 H CB -0.304 29.465 29.762 0.011 0.000 1.394 36 H HN 0.424 nan 8.280 nan 0.000 0.568 37 R N 2.341 122.592 120.500 -0.415 0.000 2.437 37 R HA 0.383 4.738 4.340 0.024 0.000 0.310 37 R C -2.808 173.405 176.300 -0.144 0.000 0.955 37 R CA -2.159 53.728 56.100 -0.354 0.000 0.851 37 R CB 1.236 31.191 30.300 -0.576 0.000 1.161 37 R HN 0.029 nan 8.270 nan 0.000 0.446 38 P HA 0.211 nan 4.420 nan 0.000 0.275 38 P C -0.907 176.384 177.300 -0.014 0.000 1.228 38 P CA -0.506 62.584 63.100 -0.018 0.000 0.786 38 P CB 1.161 32.875 31.700 0.024 0.000 0.927 39 A N 2.316 125.135 122.820 -0.002 0.000 2.511 39 A HA 0.395 4.729 4.320 0.024 0.000 0.242 39 A C 0.931 178.526 177.584 0.018 0.000 1.069 39 A CA 0.030 52.069 52.037 0.003 0.000 0.763 39 A CB -0.410 18.595 19.000 0.007 0.000 1.001 39 A HN 0.571 nan 8.150 nan 0.000 0.498 40 A N 2.367 125.198 122.820 0.017 0.000 3.118 40 A HA 0.511 4.846 4.320 0.024 0.000 0.256 40 A C 0.245 177.848 177.584 0.031 0.000 1.667 40 A CA 0.357 52.410 52.037 0.028 0.000 1.338 40 A CB -0.847 18.166 19.000 0.022 0.000 1.127 40 A HN 0.999 nan 8.150 nan 0.000 0.634 41 E N -0.152 120.069 120.200 0.035 0.000 2.412 41 E HA 0.601 4.965 4.350 0.024 0.000 0.279 41 E C -3.313 173.310 176.600 0.039 0.000 0.984 41 E CA -1.861 54.560 56.400 0.035 0.000 0.788 41 E CB 1.438 31.153 29.700 0.025 0.000 1.277 41 E HN 0.024 nan 8.360 nan 0.000 0.455 42 P HA 0.169 nan 4.420 nan 0.000 0.268 42 P C -1.004 176.306 177.300 0.017 0.000 1.204 42 P CA 0.053 63.169 63.100 0.027 0.000 0.768 42 P CB 0.707 32.410 31.700 0.004 0.000 0.842 43 T N 0.256 114.817 114.554 0.012 0.000 2.923 43 T HA 0.584 4.949 4.350 0.024 0.000 0.311 43 T C -3.061 171.619 174.700 -0.032 0.000 1.183 43 T CA -2.381 59.721 62.100 0.003 0.000 1.020 43 T CB 1.732 70.608 68.868 0.012 0.000 1.165 43 T HN 0.072 nan 8.240 nan 0.000 0.482 44 P HA 0.377 nan 4.420 nan 0.000 0.274 44 P C -2.766 174.410 177.300 -0.207 0.000 1.246 44 P CA -1.577 61.393 63.100 -0.215 0.000 0.795 44 P CB -0.899 30.727 31.700 -0.123 0.000 1.006 45 P HA 0.058 nan 4.420 nan 0.000 0.264 45 P C 1.061 178.316 177.300 -0.075 0.000 1.193 45 P CA 1.431 64.438 63.100 -0.155 0.000 0.763 45 P CB -0.235 31.364 31.700 -0.169 0.000 0.810 46 G N 2.808 111.593 108.800 -0.026 0.000 2.205 46 G HA2 -0.361 3.613 3.960 0.024 0.000 0.261 46 G HA3 -0.361 3.613 3.960 0.024 0.000 0.261 46 G C 1.161 176.059 174.900 -0.003 0.000 0.980 46 G CA 0.438 45.535 45.100 -0.006 0.000 0.632 46 G HN 0.665 nan 8.290 nan 0.000 0.533 47 A N -1.073 121.741 122.820 -0.010 0.000 1.968 47 A HA 0.404 4.739 4.320 0.024 0.000 0.217 47 A C 1.344 178.932 177.584 0.007 0.000 1.169 47 A CA 2.016 54.053 52.037 -0.001 0.000 0.638 47 A CB 0.003 19.001 19.000 -0.003 0.000 0.812 47 A HN 0.549 nan 8.150 nan 0.000 0.446 48 Q N -1.103 118.705 119.800 0.013 0.000 2.456 48 Q HA 0.429 4.783 4.340 0.024 0.000 0.284 48 Q C -2.982 173.034 176.000 0.026 0.000 1.061 48 Q CA -2.074 53.740 55.803 0.019 0.000 0.799 48 Q CB 0.843 29.595 28.738 0.024 0.000 1.445 48 Q HN 0.051 nan 8.270 nan 0.000 0.411 49 P HA 0.032 nan 4.420 nan 0.000 0.269 49 P C -0.259 177.074 177.300 0.055 0.000 1.209 49 P CA 0.066 63.181 63.100 0.026 0.000 0.776 49 P CB 0.246 31.959 31.700 0.021 0.000 0.876 50 T N -0.747 113.839 114.554 0.053 0.000 2.860 50 T HA 0.598 4.962 4.350 0.024 0.000 0.299 50 T C -0.016 174.771 174.700 0.146 0.000 1.045 50 T CA -0.530 61.649 62.100 0.133 0.000 1.071 50 T CB 0.651 69.540 68.868 0.036 0.000 0.985 50 T HN 0.557 nan 8.240 nan 0.000 0.537 51 A N 1.771 124.774 122.820 0.305 0.000 2.594 51 A HA 0.784 5.119 4.320 0.024 0.000 0.291 51 A C -3.022 174.823 177.584 0.436 0.000 1.105 51 A CA -2.159 50.035 52.037 0.262 0.000 0.694 51 A CB 0.642 19.748 19.000 0.177 0.000 1.291 51 A HN 0.658 nan 8.150 nan 0.000 0.410 52 P HA 0.079 nan 4.420 nan 0.000 0.264 52 P C 1.216 178.670 177.300 0.256 0.000 1.179 52 P CA 1.032 64.349 63.100 0.362 0.000 0.763 52 P CB 0.570 32.402 31.700 0.220 0.000 0.806 53 G N 2.199 111.110 108.800 0.185 0.000 2.442 53 G HA2 -0.278 3.696 3.960 0.024 0.000 0.219 53 G HA3 -0.278 3.696 3.960 0.024 0.000 0.219 53 G C 1.543 176.464 174.900 0.034 0.000 1.141 53 G CA 1.031 46.152 45.100 0.034 0.000 0.763 53 G HN 0.589 nan 8.290 nan 0.000 0.554 54 S N -0.048 115.677 115.700 0.040 0.000 2.474 54 S HA 0.135 4.620 4.470 0.024 0.000 0.235 54 S C 2.192 176.813 174.600 0.035 0.000 0.997 54 S CA 0.745 58.953 58.200 0.015 0.000 0.949 54 S CB -0.159 63.044 63.200 0.004 0.000 0.766 54 S HN 0.315 nan 8.310 nan 0.000 0.517 55 L N -0.141 121.120 121.223 0.062 0.000 2.253 55 L HA 0.271 4.625 4.340 0.024 0.000 0.205 55 L C 2.662 179.568 176.870 0.059 0.000 1.078 55 L CA 0.813 55.689 54.840 0.060 0.000 0.805 55 L CB -0.315 41.789 42.059 0.075 0.000 0.963 55 L HN 0.248 nan 8.230 nan 0.000 0.459 56 K N 1.376 121.822 120.400 0.077 0.000 2.103 56 K HA 0.035 4.370 4.320 0.024 0.000 0.204 56 K C 0.704 177.336 176.600 0.053 0.000 1.052 56 K CA 1.227 57.558 56.287 0.074 0.000 0.945 56 K CB 0.149 32.712 32.500 0.106 0.000 0.722 56 K HN 0.148 nan 8.250 nan 0.000 0.443 57 A N 0.679 123.522 122.820 0.039 0.000 3.317 57 A HA 0.361 4.695 4.320 0.024 0.000 0.307 57 A C -2.252 175.339 177.584 0.011 0.000 1.003 57 A CA -0.988 51.069 52.037 0.033 0.000 0.882 57 A CB 0.612 19.635 19.000 0.037 0.000 1.136 57 A HN 0.122 nan 8.150 nan 0.000 0.488 58 P HA -0.080 nan 4.420 nan 0.000 0.223 58 P C 0.146 177.441 177.300 -0.008 0.000 1.151 58 P CA 1.181 64.282 63.100 0.001 0.000 0.787 58 P CB 0.352 32.057 31.700 0.008 0.000 0.788 59 D N -1.314 119.086 120.400 -0.000 0.000 2.349 59 D HA 0.027 4.681 4.640 0.024 0.000 0.214 59 D C 0.210 176.501 176.300 -0.016 0.000 1.063 59 D CA 0.522 54.518 54.000 -0.006 0.000 0.847 59 D CB -0.260 40.544 40.800 0.006 0.000 0.933 59 D HN 0.084 nan 8.370 nan 0.000 0.513 60 T N 2.799 117.341 114.554 -0.020 0.000 2.737 60 T HA 0.312 4.676 4.350 0.024 0.000 0.296 60 T C 0.427 175.084 174.700 -0.072 0.000 0.922 60 T CA -0.357 61.718 62.100 -0.043 0.000 1.079 60 T CB 0.987 69.827 68.868 -0.046 0.000 0.892 60 T HN -0.129 nan 8.240 nan 0.000 0.514 61 R N 3.076 123.526 120.500 -0.082 0.000 2.795 61 R HA 0.632 4.986 4.340 0.024 0.000 0.275 61 R C -0.557 175.682 176.300 -0.101 0.000 0.981 61 R CA -1.024 55.020 56.100 -0.093 0.000 0.917 61 R CB 1.788 32.041 30.300 -0.078 0.000 1.202 61 R HN 0.810 nan 8.270 nan 0.000 0.469 62 N N -2.003 116.638 118.700 -0.097 0.000 2.934 62 N HA 0.057 4.812 4.740 0.024 0.000 0.253 62 N C 0.248 175.711 175.510 -0.079 0.000 1.466 62 N CA -0.828 52.176 53.050 -0.076 0.000 0.858 62 N CB 0.889 39.362 38.487 -0.024 0.000 1.459 62 N HN 0.594 nan 8.380 nan 0.000 0.532 63 E N -0.315 119.853 120.200 -0.053 0.000 2.118 63 E HA -0.262 4.103 4.350 0.024 0.000 0.195 63 E C 1.062 177.591 176.600 -0.119 0.000 0.992 63 E CA 1.386 57.749 56.400 -0.061 0.000 0.804 63 E CB 0.099 29.788 29.700 -0.019 0.000 0.741 63 E HN 0.500 nan 8.360 nan 0.000 0.458 64 K N 0.681 120.976 120.400 -0.175 0.000 2.062 64 K HA -0.062 4.272 4.320 0.024 0.000 0.205 64 K C 2.058 178.496 176.600 -0.270 0.000 1.051 64 K CA 1.089 57.179 56.287 -0.329 0.000 0.941 64 K CB -0.365 31.787 32.500 -0.580 0.000 0.719 64 K HN 0.180 nan 8.250 nan 0.000 0.440 65 L N 0.938 122.015 121.223 -0.243 0.000 2.083 65 L HA -0.195 4.159 4.340 0.024 0.000 0.209 65 L C 1.783 178.542 176.870 -0.187 0.000 1.083 65 L CA 1.146 55.818 54.840 -0.280 0.000 0.752 65 L CB -0.573 41.314 42.059 -0.285 0.000 0.899 65 L HN 0.262 nan 8.230 nan 0.000 0.433 66 N N -0.330 118.285 118.700 -0.142 0.000 2.188 66 N HA -0.150 4.604 4.740 0.024 0.000 0.184 66 N C 2.074 177.525 175.510 -0.099 0.000 1.018 66 N CA 1.637 54.625 53.050 -0.103 0.000 0.858 66 N CB -0.372 38.067 38.487 -0.081 0.000 0.989 66 N HN 0.361 nan 8.380 nan 0.000 0.426 67 S N 0.322 115.951 115.700 -0.117 0.000 2.474 67 S HA 0.029 4.513 4.470 0.024 0.000 0.235 67 S C 1.753 176.290 174.600 -0.106 0.000 0.997 67 S CA 0.402 58.540 58.200 -0.104 0.000 0.949 67 S CB -0.431 62.698 63.200 -0.119 0.000 0.766 67 S HN 0.242 nan 8.310 nan 0.000 0.517 68 L N 0.778 121.925 121.223 -0.127 0.000 2.599 68 L HA 0.220 4.574 4.340 0.024 0.000 0.230 68 L C 2.544 179.367 176.870 -0.078 0.000 1.141 68 L CA 0.402 55.176 54.840 -0.110 0.000 0.877 68 L CB -0.339 41.638 42.059 -0.137 0.000 1.009 68 L HN 0.262 nan 8.230 nan 0.000 0.447 69 E N 1.144 121.302 120.200 -0.071 0.000 2.160 69 E HA -0.259 4.106 4.350 0.024 0.000 0.195 69 E C 1.703 178.282 176.600 -0.035 0.000 0.991 69 E CA 1.562 57.933 56.400 -0.048 0.000 0.810 69 E CB -0.047 29.626 29.700 -0.044 0.000 0.742 69 E HN 0.568 nan 8.360 nan 0.000 0.466 70 D N -0.521 119.856 120.400 -0.037 0.000 2.263 70 D HA -0.142 4.513 4.640 0.024 0.000 0.208 70 D C 1.580 177.866 176.300 -0.025 0.000 0.971 70 D CA 1.552 55.535 54.000 -0.029 0.000 0.867 70 D CB -0.261 40.522 40.800 -0.029 0.000 0.929 70 D HN 0.313 nan 8.370 nan 0.000 0.492 71 V N -3.775 116.123 119.914 -0.027 0.000 3.477 71 V HA 0.336 4.470 4.120 0.024 0.000 0.297 71 V C 0.821 176.907 176.094 -0.012 0.000 1.433 71 V CA -0.717 61.572 62.300 -0.018 0.000 1.052 71 V CB -0.451 31.362 31.823 -0.017 0.000 0.895 71 V HN -0.171 nan 8.190 nan 0.000 0.438 72 R N 2.069 122.560 120.500 -0.015 0.000 2.489 72 R HA 0.406 4.761 4.340 0.024 0.000 0.287 72 R C -0.188 176.111 176.300 -0.003 0.000 1.053 72 R CA 0.152 56.250 56.100 -0.003 0.000 1.036 72 R CB 0.694 30.992 30.300 -0.004 0.000 0.966 72 R HN 0.365 nan 8.270 nan 0.000 0.432 73 K N 1.338 121.740 120.400 0.003 0.000 2.323 73 K HA 0.314 4.648 4.320 0.024 0.000 0.259 73 K C 0.020 176.628 176.600 0.013 0.000 0.947 73 K CA -0.431 55.843 56.287 -0.021 0.000 0.819 73 K CB 1.789 34.265 32.500 -0.039 0.000 1.109 73 K HN 0.729 nan 8.250 nan 0.000 0.429 74 G N 0.510 109.330 108.800 0.034 0.000 2.504 74 G HA2 0.210 4.185 3.960 0.024 0.000 0.257 74 G HA3 0.210 4.185 3.960 0.024 0.000 0.257 74 G C 0.369 175.354 174.900 0.142 0.000 1.451 74 G CA 0.301 45.471 45.100 0.116 0.000 1.059 74 G HN 0.712 nan 8.290 nan 0.000 0.550 75 S N -2.696 113.166 115.700 0.269 0.000 2.501 75 S HA 0.109 4.593 4.470 0.024 0.000 0.250 75 S C 0.224 174.999 174.600 0.291 0.000 0.959 75 S CA -0.145 58.222 58.200 0.278 0.000 1.250 75 S CB 0.026 63.308 63.200 0.137 0.000 0.933 75 S HN 0.517 nan 8.310 nan 0.000 0.420 76 E N 3.007 123.304 120.200 0.161 0.000 2.413 76 E HA 0.309 4.673 4.350 0.024 0.000 0.263 76 E C -0.158 176.381 176.600 -0.103 0.000 1.015 76 E CA 0.203 56.630 56.400 0.045 0.000 0.916 76 E CB 0.076 29.791 29.700 0.025 0.000 0.947 76 E HN 0.381 nan 8.360 nan 0.000 0.440 77 N N 0.178 118.817 118.700 -0.103 0.000 2.936 77 N HA -0.216 4.538 4.740 0.024 0.000 0.236 77 N C -1.039 174.316 175.510 -0.258 0.000 0.930 77 N CA 1.241 54.171 53.050 -0.199 0.000 0.966 77 N CB -1.329 36.994 38.487 -0.272 0.000 1.090 77 N HN 0.392 nan 8.380 nan 0.000 0.592 78 Y N 0.663 120.970 120.300 0.011 0.000 2.419 78 Y HA 0.642 5.207 4.550 0.025 0.000 0.328 78 Y C 0.958 176.862 175.900 0.007 0.000 1.162 78 Y CA -0.489 57.616 58.100 0.009 0.000 1.174 78 Y CB 1.030 39.496 38.460 0.010 0.000 1.228 78 Y HN 0.120 nan 8.280 nan 0.000 0.473 79 A N 2.523 125.460 122.820 0.194 0.000 2.407 79 A HA 0.393 4.728 4.320 0.024 0.000 0.248 79 A C -0.706 176.930 177.584 0.087 0.000 1.082 79 A CA -0.478 51.621 52.037 0.104 0.000 0.785 79 A CB 0.075 19.123 19.000 0.079 0.000 1.020 79 A HN 0.706 nan 8.150 nan 0.000 0.489 80 L N 2.622 123.876 121.223 0.051 0.000 2.380 80 L HA 0.555 4.910 4.340 0.024 0.000 0.273 80 L C 0.632 177.514 176.870 0.020 0.000 1.138 80 L CA 1.177 56.034 54.840 0.028 0.000 0.832 80 L CB 0.706 42.772 42.059 0.012 0.000 1.124 80 L HN 0.938 nan 8.230 nan 0.000 0.454 81 T N 0.192 114.753 114.554 0.010 0.000 2.864 81 T HA 0.621 4.985 4.350 0.024 0.000 0.299 81 T C 0.107 174.812 174.700 0.009 0.000 1.166 81 T CA -0.201 61.908 62.100 0.015 0.000 1.007 81 T CB 0.987 69.867 68.868 0.019 0.000 1.219 81 T HN 0.837 nan 8.240 nan 0.000 0.506 82 T N 0.445 115.018 114.554 0.031 0.000 2.701 82 T HA 0.209 4.574 4.350 0.024 0.000 0.303 82 T C 1.045 175.765 174.700 0.033 0.000 1.030 82 T CA -0.410 61.716 62.100 0.044 0.000 1.010 82 T CB -0.088 68.847 68.868 0.112 0.000 1.007 82 T HN 0.569 nan 8.240 nan 0.000 0.532 83 N N 0.531 119.254 118.700 0.038 0.000 2.520 83 N HA -0.056 4.698 4.740 0.024 0.000 0.185 83 N C 1.493 177.026 175.510 0.037 0.000 1.068 83 N CA 0.516 53.583 53.050 0.027 0.000 0.911 83 N CB -0.147 38.366 38.487 0.044 0.000 0.961 83 N HN 0.564 nan 8.380 nan 0.000 0.446 84 Q N -0.545 119.289 119.800 0.056 0.000 2.320 84 Q HA 0.203 4.557 4.340 0.024 0.000 0.201 84 Q C 0.785 176.809 176.000 0.040 0.000 0.910 84 Q CA 0.128 55.959 55.803 0.047 0.000 0.946 84 Q CB 0.374 29.145 28.738 0.055 0.000 1.062 84 Q HN 0.358 nan 8.270 nan 0.000 0.503 85 G N 0.596 109.418 108.800 0.036 0.000 2.143 85 G HA2 -0.245 3.729 3.960 0.024 0.000 0.249 85 G HA3 -0.245 3.729 3.960 0.024 0.000 0.249 85 G C 0.111 175.038 174.900 0.045 0.000 0.981 85 G CA 0.175 45.292 45.100 0.028 0.000 0.665 85 G HN 0.242 nan 8.290 nan 0.000 0.528 86 V N 1.553 121.509 119.914 0.071 0.000 2.461 86 V HA 0.365 4.499 4.120 0.024 0.000 0.275 86 V C 1.304 177.440 176.094 0.071 0.000 1.047 86 V CA -0.590 61.764 62.300 0.090 0.000 0.955 86 V CB 1.106 33.029 31.823 0.166 0.000 0.988 86 V HN 0.414 nan 8.190 nan 0.000 0.471 87 R N 4.267 124.801 120.500 0.056 0.000 2.590 87 R HA 0.361 4.716 4.340 0.024 0.000 0.274 87 R C -0.508 175.808 176.300 0.027 0.000 1.061 87 R CA -0.034 56.090 56.100 0.039 0.000 1.081 87 R CB 0.523 30.846 30.300 0.037 0.000 0.984 87 R HN 0.575 nan 8.270 nan 0.000 0.448 88 I N 1.835 122.409 120.570 0.007 0.000 2.359 88 I HA 0.143 4.327 4.170 0.024 0.000 0.294 88 I C 0.872 176.980 176.117 -0.016 0.000 0.987 88 I CA 0.029 61.317 61.300 -0.020 0.000 1.225 88 I CB 1.928 39.906 38.000 -0.038 0.000 1.366 88 I HN 0.772 nan 8.210 nan 0.000 0.466 89 A N 3.856 126.662 122.820 -0.023 0.000 1.924 89 A HA 0.045 4.379 4.320 0.024 0.000 0.211 89 A C 0.593 178.162 177.584 -0.026 0.000 1.198 89 A CA 0.798 52.824 52.037 -0.017 0.000 0.657 89 A CB 0.093 19.086 19.000 -0.012 0.000 0.852 89 A HN 0.672 nan 8.150 nan 0.000 0.454 90 D N -0.449 119.927 120.400 -0.040 0.000 2.421 90 D HA 0.326 4.980 4.640 0.024 0.000 0.254 90 D C -1.361 174.907 176.300 -0.054 0.000 1.238 90 D CA -0.347 53.628 54.000 -0.042 0.000 0.919 90 D CB 1.135 41.911 40.800 -0.040 0.000 1.152 90 D HN 0.037 nan 8.370 nan 0.000 0.552 91 D N 2.012 122.383 120.400 -0.048 0.000 2.395 91 D HA 0.065 4.719 4.640 0.024 0.000 0.226 91 D C 0.509 176.777 176.300 -0.053 0.000 1.146 91 D CA 0.242 54.209 54.000 -0.055 0.000 0.830 91 D CB 0.487 41.260 40.800 -0.044 0.000 0.958 91 D HN 0.237 nan 8.370 nan 0.000 0.501 92 Q N -0.587 119.183 119.800 -0.050 0.000 2.189 92 Q HA 0.276 4.631 4.340 0.024 0.000 0.223 92 Q C -0.254 175.716 176.000 -0.050 0.000 0.828 92 Q CA 0.088 55.862 55.803 -0.048 0.000 0.967 92 Q CB 0.897 29.612 28.738 -0.039 0.000 1.139 92 Q HN 0.178 nan 8.270 nan 0.000 0.497 93 N N 0.044 118.711 118.700 -0.054 0.000 2.308 93 N HA 0.289 5.044 4.740 0.024 0.000 0.283 93 N C -1.042 174.433 175.510 -0.059 0.000 1.105 93 N CA -0.220 52.800 53.050 -0.050 0.000 0.840 93 N CB 2.136 40.599 38.487 -0.041 0.000 1.633 93 N HN -0.181 nan 8.380 nan 0.000 0.476 94 S N 0.806 116.474 115.700 -0.053 0.000 2.617 94 S HA 0.303 4.788 4.470 0.024 0.000 0.269 94 S C 0.181 174.754 174.600 -0.045 0.000 1.292 94 S CA -0.578 57.589 58.200 -0.054 0.000 1.010 94 S CB 0.832 64.007 63.200 -0.042 0.000 0.944 94 S HN 0.400 nan 8.310 nan 0.000 0.536 95 L N 3.317 124.512 121.223 -0.046 0.000 2.367 95 L HA 0.431 4.785 4.340 0.024 0.000 0.275 95 L C 0.120 176.980 176.870 -0.017 0.000 1.129 95 L CA 0.451 55.272 54.840 -0.031 0.000 0.839 95 L CB -0.027 42.014 42.059 -0.030 0.000 1.133 95 L HN 0.756 nan 8.230 nan 0.000 0.453 96 R N 4.070 124.563 120.500 -0.012 0.000 2.799 96 R HA 0.854 5.208 4.340 0.024 0.000 0.270 96 R C -1.301 174.997 176.300 -0.002 0.000 1.010 96 R CA -0.869 55.227 56.100 -0.007 0.000 0.916 96 R CB 1.126 31.420 30.300 -0.010 0.000 1.228 96 R HN 0.589 nan 8.270 nan 0.000 0.469 97 A N 1.240 124.061 122.820 0.000 0.000 2.506 97 A HA 0.610 4.944 4.320 0.024 0.000 0.320 97 A C 0.573 178.157 177.584 -0.000 0.000 1.424 97 A CA 0.226 52.264 52.037 0.002 0.000 1.044 97 A CB -0.711 18.292 19.000 0.004 0.000 1.140 97 A HN 1.261 nan 8.150 nan 0.000 0.538 98 G N 1.277 110.076 108.800 -0.001 0.000 2.705 98 G HA2 0.037 4.012 3.960 0.024 0.000 0.686 98 G HA3 0.037 4.012 3.960 0.024 0.000 0.686 98 G C 0.706 175.602 174.900 -0.006 0.000 1.285 98 G CA 0.163 45.261 45.100 -0.003 0.000 0.800 98 G HN 1.877 nan 8.290 nan 0.000 0.611 99 S N 0.002 115.698 115.700 -0.007 0.000 2.474 99 S HA -0.015 4.470 4.470 0.024 0.000 0.235 99 S C 1.537 176.131 174.600 -0.010 0.000 0.997 99 S CA 1.430 59.624 58.200 -0.009 0.000 0.949 99 S CB 0.056 63.251 63.200 -0.010 0.000 0.766 99 S HN 0.754 nan 8.310 nan 0.000 0.517 100 R N 0.985 121.481 120.500 -0.008 0.000 2.633 100 R HA 0.361 4.716 4.340 0.024 0.000 0.348 100 R C 0.822 177.118 176.300 -0.006 0.000 1.100 100 R CA 0.029 56.124 56.100 -0.008 0.000 1.068 100 R CB 0.760 31.056 30.300 -0.007 0.000 1.351 100 R HN 0.452 nan 8.270 nan 0.000 0.575 101 G N 1.493 110.290 108.800 -0.006 0.000 2.642 101 G HA2 0.421 4.396 3.960 0.024 0.000 0.291 101 G HA3 0.421 4.396 3.960 0.024 0.000 0.291 101 G C -2.466 172.431 174.900 -0.004 0.000 1.345 101 G CA -1.146 43.951 45.100 -0.004 0.000 1.043 101 G HN -0.101 nan 8.290 nan 0.000 0.528 102 P HA 0.244 nan 4.420 nan 0.000 0.277 102 P C -0.244 177.056 177.300 -0.001 0.000 1.240 102 P CA -0.081 63.019 63.100 -0.001 0.000 0.798 102 P CB 0.949 32.650 31.700 0.002 0.000 0.979 103 T N 2.370 116.922 114.554 -0.002 0.000 2.919 103 T HA 0.272 4.636 4.350 0.024 0.000 0.302 103 T C 0.439 175.141 174.700 0.005 0.000 1.031 103 T CA -0.097 62.002 62.100 -0.003 0.000 1.127 103 T CB -0.018 68.846 68.868 -0.006 0.000 0.952 103 T HN 0.181 nan 8.240 nan 0.000 0.540 104 L N 3.550 124.778 121.223 0.008 0.000 2.325 104 L HA 0.340 4.694 4.340 0.024 0.000 0.279 104 L C 1.359 178.245 176.870 0.027 0.000 1.054 104 L CA -0.806 54.045 54.840 0.018 0.000 0.804 104 L CB 0.992 43.064 42.059 0.021 0.000 1.200 104 L HN 0.507 nan 8.230 nan 0.000 0.436 105 L N 2.285 123.528 121.223 0.034 0.000 2.191 105 L HA -0.189 4.165 4.340 0.024 0.000 0.212 105 L C 2.265 179.175 176.870 0.068 0.000 1.103 105 L CA 1.672 56.539 54.840 0.045 0.000 0.769 105 L CB -0.531 41.552 42.059 0.040 0.000 0.908 105 L HN 0.794 nan 8.230 nan 0.000 0.438 106 E N -1.701 118.543 120.200 0.075 0.000 2.511 106 E HA -0.140 4.225 4.350 0.024 0.000 0.196 106 E C 0.204 176.906 176.600 0.170 0.000 1.066 106 E CA 0.107 56.580 56.400 0.122 0.000 0.871 106 E CB -0.444 29.319 29.700 0.105 0.000 0.863 106 E HN 0.339 nan 8.360 nan 0.000 0.520 107 D N 1.228 121.679 120.400 0.085 0.000 2.416 107 D HA -0.044 4.610 4.640 0.024 0.000 0.240 107 D C 0.329 176.639 176.300 0.016 0.000 1.250 107 D CA -0.446 53.557 54.000 0.006 0.000 0.967 107 D CB -0.046 40.729 40.800 -0.041 0.000 1.059 107 D HN 0.302 nan 8.370 nan 0.000 0.512 108 F N 2.105 122.064 119.950 0.014 0.000 2.456 108 F HA 0.156 4.694 4.527 0.018 0.000 0.298 108 F C 1.615 177.427 175.800 0.021 0.000 1.104 108 F CA -0.025 57.987 58.000 0.020 0.000 1.435 108 F CB -0.575 38.436 39.000 0.018 0.000 1.078 108 F HN 0.188 nan 8.300 nan 0.000 0.546 109 I N 0.212 120.378 120.570 -0.673 0.000 2.333 109 I HA -0.160 4.024 4.170 0.024 0.000 0.246 109 I C 2.418 178.429 176.117 -0.175 0.000 1.106 109 I CA 0.781 61.817 61.300 -0.440 0.000 1.411 109 I CB -0.400 37.280 38.000 -0.532 0.000 1.082 109 I HN 0.250 nan 8.210 nan 0.000 0.420 110 L N 1.152 122.284 121.223 -0.151 0.000 1.989 110 L HA -0.195 4.160 4.340 0.024 0.000 0.211 110 L C 2.645 179.506 176.870 -0.016 0.000 1.071 110 L CA 1.906 56.702 54.840 -0.074 0.000 0.749 110 L CB -0.554 41.467 42.059 -0.063 0.000 0.890 110 L HN 0.047 nan 8.230 nan 0.000 0.431 111 R N -0.660 119.849 120.500 0.014 0.000 2.096 111 R HA -0.177 4.178 4.340 0.024 0.000 0.235 111 R C 2.297 178.653 176.300 0.093 0.000 1.127 111 R CA 1.476 57.614 56.100 0.063 0.000 0.968 111 R CB -0.374 29.979 30.300 0.088 0.000 0.861 111 R HN 0.586 nan 8.270 nan 0.000 0.440 112 E N 1.207 121.467 120.200 0.099 0.000 2.077 112 E HA -0.247 4.117 4.350 0.024 0.000 0.193 112 E C 1.911 178.588 176.600 0.130 0.000 0.989 112 E CA 1.307 57.784 56.400 0.127 0.000 0.800 112 E CB 0.103 29.882 29.700 0.133 0.000 0.746 112 E HN 0.151 nan 8.360 nan 0.000 0.452 113 K N 0.159 120.604 120.400 0.075 0.000 2.026 113 K HA -0.136 4.199 4.320 0.024 0.000 0.208 113 K C 2.121 178.798 176.600 0.128 0.000 1.048 113 K CA 1.355 57.686 56.287 0.073 0.000 0.929 113 K CB -0.013 32.486 32.500 -0.001 0.000 0.713 113 K HN 0.152 nan 8.250 nan 0.000 0.439 114 I N 1.174 121.800 120.570 0.094 0.000 2.439 114 I HA -0.170 4.015 4.170 0.024 0.000 0.251 114 I C 2.106 178.343 176.117 0.199 0.000 1.139 114 I CA 1.276 62.653 61.300 0.128 0.000 1.438 114 I CB -1.395 36.642 38.000 0.061 0.000 1.085 114 I HN 0.221 nan 8.210 nan 0.000 0.427 115 T N -0.213 114.448 114.554 0.179 0.000 2.708 115 T HA -0.222 4.143 4.350 0.024 0.000 0.266 115 T C 1.968 176.817 174.700 0.248 0.000 1.037 115 T CA 1.452 63.680 62.100 0.213 0.000 1.146 115 T CB -0.405 68.589 68.868 0.209 0.000 0.865 115 T HN 0.343 nan 8.240 nan 0.000 0.435 116 H N -0.029 119.143 119.070 0.170 0.000 2.321 116 H HA -0.076 4.494 4.556 0.024 0.000 0.300 116 H C 2.206 177.605 175.328 0.118 0.000 1.087 116 H CA 1.639 57.773 56.048 0.143 0.000 1.319 116 H CB -0.480 29.345 29.762 0.104 0.000 1.379 116 H HN 0.405 nan 8.280 nan 0.000 0.501 117 F N 2.081 122.102 119.950 0.119 0.000 2.095 117 F HA -0.210 4.329 4.527 0.019 0.000 0.298 117 F C 1.981 177.735 175.800 -0.078 0.000 1.104 117 F CA 1.848 59.863 58.000 0.026 0.000 1.232 117 F CB -0.361 38.645 39.000 0.011 0.000 0.987 117 F HN 0.065 nan 8.300 nan 0.000 0.475 118 D N -1.175 119.153 120.400 -0.120 0.000 2.309 118 D HA -0.141 4.513 4.640 0.024 0.000 0.212 118 D C 1.109 177.007 176.300 -0.671 0.000 0.968 118 D CA 1.203 54.950 54.000 -0.422 0.000 0.882 118 D CB -0.346 40.209 40.800 -0.408 0.000 0.918 118 D HN 0.492 nan 8.370 nan 0.000 0.503 119 H N -0.484 118.467 119.070 -0.197 0.000 2.510 119 H HA 0.222 4.789 4.556 0.018 0.000 0.266 119 H C 0.898 176.070 175.328 -0.259 0.000 1.146 119 H CA -0.122 55.809 56.048 -0.195 0.000 0.993 119 H CB 0.498 30.162 29.762 -0.164 0.000 1.727 119 H HN 0.249 nan 8.280 nan 0.000 0.590 120 E N 0.603 120.647 120.200 -0.261 0.000 2.204 120 E HA -0.037 4.328 4.350 0.024 0.000 0.194 120 E C 0.487 176.943 176.600 -0.239 0.000 0.989 120 E CA 0.544 56.769 56.400 -0.292 0.000 0.824 120 E CB 0.482 29.985 29.700 -0.329 0.000 0.756 120 E HN 0.156 nan 8.360 nan 0.000 0.477 121 R N 1.188 121.603 120.500 -0.141 0.000 2.404 121 R HA 0.366 4.720 4.340 0.024 0.000 0.291 121 R C 0.395 176.733 176.300 0.065 0.000 1.025 121 R CA -0.286 55.801 56.100 -0.021 0.000 0.991 121 R CB 0.855 31.130 30.300 -0.041 0.000 1.053 121 R HN 0.143 nan 8.270 nan 0.000 0.479 122 I N -0.887 119.787 120.570 0.173 0.000 2.910 122 I HA 0.598 4.782 4.170 0.024 0.000 0.310 122 I C -2.193 173.985 176.117 0.102 0.000 1.043 122 I CA -2.945 58.441 61.300 0.144 0.000 1.053 122 I CB 1.639 39.758 38.000 0.199 0.000 1.242 122 I HN 0.245 nan 8.210 nan 0.000 0.452 123 P HA 0.092 nan 4.420 nan 0.000 0.266 123 P C -0.889 176.440 177.300 0.048 0.000 1.195 123 P CA -0.066 63.060 63.100 0.044 0.000 0.768 123 P CB 0.406 32.121 31.700 0.025 0.000 0.838 124 E N 2.468 122.698 120.200 0.051 0.000 2.369 124 E HA 0.217 4.581 4.350 0.024 0.000 0.255 124 E C -0.406 176.219 176.600 0.041 0.000 1.172 124 E CA -0.860 55.575 56.400 0.059 0.000 0.932 124 E CB 0.639 30.380 29.700 0.068 0.000 1.040 124 E HN 0.245 nan 8.360 nan 0.000 0.454 125 R N 0.501 121.031 120.500 0.050 0.000 2.679 125 R HA 0.017 4.371 4.340 0.024 0.000 0.268 125 R C 1.257 177.591 176.300 0.056 0.000 1.044 125 R CA -0.393 55.734 56.100 0.044 0.000 1.105 125 R CB 0.335 30.682 30.300 0.078 0.000 0.989 125 R HN 0.580 nan 8.270 nan 0.000 0.447 126 I N 1.842 122.439 120.570 0.046 0.000 2.315 126 I HA -0.105 4.079 4.170 0.024 0.000 0.248 126 I C 1.141 177.312 176.117 0.089 0.000 1.117 126 I CA 1.407 62.743 61.300 0.060 0.000 1.404 126 I CB -0.913 37.126 38.000 0.065 0.000 1.071 126 I HN 0.358 nan 8.210 nan 0.000 0.419 127 V N -3.236 116.766 119.914 0.146 0.000 3.102 127 V HA 0.513 4.648 4.120 0.024 0.000 0.312 127 V C 0.403 176.672 176.094 0.291 0.000 1.135 127 V CA -0.861 61.556 62.300 0.195 0.000 1.022 127 V CB 1.764 33.793 31.823 0.343 0.000 1.056 127 V HN 0.400 nan 8.190 nan 0.000 0.436 128 H N 0.242 119.377 119.070 0.107 0.000 2.862 128 H HA -0.221 4.349 4.556 0.024 0.000 0.290 128 H C 1.542 176.917 175.328 0.078 0.000 1.211 128 H CA 0.768 56.872 56.048 0.094 0.000 1.140 128 H CB -1.160 28.646 29.762 0.073 0.000 1.341 128 H HN 1.156 nan 8.280 nan 0.000 0.392 129 A N 0.736 123.643 122.820 0.145 0.000 2.019 129 A HA -0.106 4.228 4.320 0.024 0.000 0.219 129 A C 1.700 179.373 177.584 0.148 0.000 1.164 129 A CA 1.322 53.435 52.037 0.126 0.000 0.644 129 A CB -0.064 18.990 19.000 0.090 0.000 0.805 129 A HN 0.272 nan 8.150 nan 0.000 0.449 130 R N 0.147 120.735 120.500 0.148 0.000 2.198 130 R HA 0.524 4.878 4.340 0.024 0.000 0.339 130 R C -0.156 176.271 176.300 0.213 0.000 1.020 130 R CA 0.629 56.836 56.100 0.178 0.000 0.864 130 R CB 0.258 30.646 30.300 0.147 0.000 1.105 130 R HN 0.292 nan 8.270 nan 0.000 0.463 131 G N 0.719 109.671 108.800 0.253 0.000 2.677 131 G HA2 0.536 4.510 3.960 0.024 0.000 0.291 131 G HA3 0.536 4.510 3.960 0.024 0.000 0.291 131 G C -1.595 173.464 174.900 0.265 0.000 1.435 131 G CA -0.596 44.620 45.100 0.192 0.000 0.826 131 G HN 0.469 nan 8.290 nan 0.000 0.491 132 S N -1.073 114.725 115.700 0.163 0.000 2.547 132 S HA 0.870 5.354 4.470 0.024 0.000 0.281 132 S C -0.195 174.416 174.600 0.019 0.000 1.118 132 S CA -0.156 58.199 58.200 0.258 0.000 0.947 132 S CB 1.722 65.187 63.200 0.441 0.000 1.053 132 S HN 1.526 nan 8.310 nan 0.000 0.482 133 A N 1.618 124.411 122.820 -0.046 0.000 2.469 133 A HA 1.038 5.373 4.320 0.024 0.000 0.299 133 A C -0.845 176.520 177.584 -0.365 0.000 1.098 133 A CA -0.708 51.069 52.037 -0.433 0.000 0.737 133 A CB 1.633 20.221 19.000 -0.687 0.000 1.312 133 A HN 1.351 nan 8.150 nan 0.000 0.414 134 A N 0.454 122.885 122.820 -0.647 0.000 2.610 134 A HA 0.718 5.052 4.320 0.024 0.000 0.291 134 A C -1.102 176.259 177.584 -0.372 0.000 1.086 134 A CA -0.665 51.161 52.037 -0.351 0.000 0.677 134 A CB 0.725 19.625 19.000 -0.167 0.000 1.278 134 A HN 0.881 nan 8.150 nan 0.000 0.414 135 H N -0.378 118.697 119.070 0.009 0.000 2.488 135 H HA 0.694 5.264 4.556 0.024 0.000 0.347 135 H C 0.619 175.936 175.328 -0.018 0.000 1.174 135 H CA 0.875 56.989 56.048 0.111 0.000 1.307 135 H CB 1.809 31.638 29.762 0.113 0.000 1.517 135 H HN 1.171 nan 8.280 nan 0.000 0.554 136 G N 0.430 109.326 108.800 0.160 0.000 2.494 136 G HA2 0.354 4.329 3.960 0.024 0.000 0.308 136 G HA3 0.354 4.329 3.960 0.024 0.000 0.308 136 G C -2.080 172.947 174.900 0.211 0.000 1.263 136 G CA -0.679 44.472 45.100 0.084 0.000 0.840 136 G HN 0.629 nan 8.290 nan 0.000 0.479 137 Y N -1.711 118.620 120.300 0.050 0.000 2.597 137 Y HA 0.842 5.406 4.550 0.024 0.000 0.340 137 Y C -1.734 174.296 175.900 0.217 0.000 1.097 137 Y CA -1.922 56.254 58.100 0.128 0.000 1.037 137 Y CB 1.974 40.483 38.460 0.083 0.000 1.305 137 Y HN 0.809 nan 8.280 nan 0.000 0.463 138 F N 2.166 122.260 119.950 0.240 0.000 2.563 138 F HA 0.701 5.243 4.527 0.024 0.000 0.316 138 F C -1.267 174.725 175.800 0.321 0.000 1.076 138 F CA -0.653 57.489 58.000 0.237 0.000 0.921 138 F CB 2.425 41.689 39.000 0.440 0.000 1.209 138 F HN 0.785 nan 8.300 nan 0.000 0.462 139 Q N 6.568 125.849 119.800 -0.865 0.000 2.289 139 Q HA 0.473 4.828 4.340 0.024 0.000 0.270 139 Q C -2.886 172.502 176.000 -1.020 0.000 1.038 139 Q CA -2.406 53.055 55.803 -0.570 0.000 0.812 139 Q CB 3.086 31.733 28.738 -0.152 0.000 1.300 139 Q HN 0.355 nan 8.270 nan 0.000 0.427 140 P HA 0.059 nan 4.420 nan 0.000 0.277 140 P C -0.450 176.697 177.300 -0.255 0.000 1.240 140 P CA 0.069 62.915 63.100 -0.423 0.000 0.798 140 P CB 0.663 32.291 31.700 -0.120 0.000 0.979 141 Y N 0.765 121.005 120.300 -0.101 0.000 2.263 141 Y HA -0.070 4.495 4.550 0.024 0.000 0.292 141 Y C 1.490 177.364 175.900 -0.044 0.000 1.130 141 Y CA 0.582 58.646 58.100 -0.061 0.000 1.179 141 Y CB 0.159 38.591 38.460 -0.048 0.000 0.998 141 Y HN 0.363 nan 8.280 nan 0.000 0.532 142 K N -1.029 119.428 120.400 0.095 0.000 2.533 142 K HA 0.416 4.750 4.320 0.024 0.000 0.272 142 K C -0.902 175.700 176.600 0.005 0.000 0.985 142 K CA -0.958 55.357 56.287 0.046 0.000 0.876 142 K CB 1.635 34.163 32.500 0.047 0.000 1.452 142 K HN -0.258 nan 8.250 nan 0.000 0.439 143 S N 0.929 116.630 115.700 0.001 0.000 2.537 143 S HA 0.130 4.614 4.470 0.024 0.000 0.286 143 S C 0.390 174.977 174.600 -0.021 0.000 1.299 143 S CA -0.569 57.623 58.200 -0.014 0.000 1.067 143 S CB -0.183 63.013 63.200 -0.007 0.000 0.864 143 S HN 0.557 nan 8.310 nan 0.000 0.494 144 L N 4.754 125.953 121.223 -0.040 0.000 2.872 144 L HA 0.132 4.486 4.340 0.024 0.000 0.245 144 L C 1.987 178.840 176.870 -0.029 0.000 1.211 144 L CA -0.052 54.771 54.840 -0.027 0.000 1.013 144 L CB -0.185 41.859 42.059 -0.024 0.000 1.326 144 L HN 0.847 nan 8.230 nan 0.000 0.525 145 S N -1.764 113.918 115.700 -0.031 0.000 2.440 145 S HA -0.196 4.289 4.470 0.024 0.000 0.238 145 S C 1.266 175.850 174.600 -0.027 0.000 1.010 145 S CA 1.156 59.337 58.200 -0.032 0.000 0.972 145 S CB -0.172 63.014 63.200 -0.023 0.000 0.774 145 S HN 0.395 nan 8.310 nan 0.000 0.501 146 D N 2.013 122.403 120.400 -0.018 0.000 2.219 146 D HA 0.006 4.661 4.640 0.024 0.000 0.205 146 D C 1.794 178.079 176.300 -0.024 0.000 0.970 146 D CA 1.393 55.383 54.000 -0.017 0.000 0.851 146 D CB -0.192 40.604 40.800 -0.008 0.000 0.943 146 D HN 0.809 nan 8.370 nan 0.000 0.488 147 I N -4.280 116.276 120.570 -0.022 0.000 4.323 147 I HA 0.229 4.414 4.170 0.024 0.000 0.328 147 I C 0.409 176.490 176.117 -0.061 0.000 1.310 147 I CA -0.005 61.276 61.300 -0.033 0.000 1.186 147 I CB 1.143 39.144 38.000 0.002 0.000 1.130 147 I HN -0.242 nan 8.210 nan 0.000 0.411 148 T N 1.658 116.177 114.554 -0.058 0.000 2.982 148 T HA 0.301 4.665 4.350 0.024 0.000 0.321 148 T C -0.156 174.493 174.700 -0.086 0.000 1.229 148 T CA -0.710 61.336 62.100 -0.090 0.000 1.044 148 T CB 1.784 70.589 68.868 -0.105 0.000 1.184 148 T HN 0.418 nan 8.240 nan 0.000 0.477 149 K N 2.458 122.805 120.400 -0.087 0.000 2.437 149 K HA 0.572 4.907 4.320 0.024 0.000 0.198 149 K C 0.678 177.238 176.600 -0.067 0.000 1.024 149 K CA -0.383 55.864 56.287 -0.067 0.000 1.148 149 K CB 0.187 32.653 32.500 -0.055 0.000 0.860 149 K HN 0.493 nan 8.250 nan 0.000 0.515 150 A N 1.919 124.674 122.820 -0.109 0.000 2.524 150 A HA -0.030 4.305 4.320 0.024 0.000 0.250 150 A C 0.538 178.075 177.584 -0.079 0.000 1.078 150 A CA -0.069 51.910 52.037 -0.097 0.000 0.761 150 A CB 0.227 19.096 19.000 -0.218 0.000 1.012 150 A HN 0.439 nan 8.150 nan 0.000 0.500 151 D N 1.991 122.424 120.400 0.055 0.000 2.144 151 D HA -0.218 4.436 4.640 0.024 0.000 0.199 151 D C 1.366 177.738 176.300 0.120 0.000 0.984 151 D CA 2.234 56.284 54.000 0.082 0.000 0.834 151 D CB -0.233 40.640 40.800 0.121 0.000 0.955 151 D HN 0.715 nan 8.370 nan 0.000 0.465 152 F N -0.629 119.339 119.950 0.030 0.000 2.546 152 F HA 0.152 4.694 4.527 0.025 0.000 0.298 152 F C 1.105 176.990 175.800 0.142 0.000 1.120 152 F CA 0.472 58.530 58.000 0.097 0.000 1.456 152 F CB -0.204 38.849 39.000 0.088 0.000 1.088 152 F HN -0.052 nan 8.300 nan 0.000 0.572 153 L N 0.729 121.651 121.223 -0.502 0.000 2.857 153 L HA 0.181 4.535 4.340 0.024 0.000 0.249 153 L C 1.968 178.746 176.870 -0.155 0.000 1.172 153 L CA 0.366 54.972 54.840 -0.389 0.000 0.980 153 L CB -0.065 41.644 42.059 -0.583 0.000 1.299 153 L HN 0.322 nan 8.230 nan 0.000 0.535 154 S N -2.191 113.461 115.700 -0.081 0.000 2.496 154 S HA 0.008 4.493 4.470 0.024 0.000 0.224 154 S C 0.444 175.039 174.600 -0.009 0.000 0.996 154 S CA 0.076 58.254 58.200 -0.037 0.000 0.927 154 S CB 0.128 63.320 63.200 -0.013 0.000 0.774 154 S HN 0.363 nan 8.310 nan 0.000 0.524 155 D N 0.570 120.974 120.400 0.007 0.000 2.861 155 D HA 0.313 4.967 4.640 0.024 0.000 0.216 155 D C -2.634 173.680 176.300 0.023 0.000 1.323 155 D CA -1.767 52.245 54.000 0.020 0.000 0.917 155 D CB 2.055 42.876 40.800 0.034 0.000 1.582 155 D HN -0.154 nan 8.370 nan 0.000 0.576 156 P HA -0.024 nan 4.420 nan 0.000 0.228 156 P C 0.458 177.774 177.300 0.027 0.000 1.151 156 P CA 0.546 63.655 63.100 0.016 0.000 0.770 156 P CB 0.445 32.165 31.700 0.034 0.000 0.786 157 N N -0.405 118.315 118.700 0.034 0.000 2.336 157 N HA 0.005 4.759 4.740 0.024 0.000 0.189 157 N C 0.639 176.180 175.510 0.051 0.000 1.113 157 N CA 0.228 53.301 53.050 0.038 0.000 0.858 157 N CB 0.207 38.712 38.487 0.030 0.000 0.970 157 N HN 0.255 nan 8.380 nan 0.000 0.471 158 K N 1.868 122.309 120.400 0.069 0.000 2.310 158 K HA 0.203 4.538 4.320 0.024 0.000 0.290 158 K C -0.402 176.289 176.600 0.152 0.000 1.077 158 K CA -0.211 56.139 56.287 0.106 0.000 0.922 158 K CB 0.487 33.062 32.500 0.125 0.000 1.057 158 K HN -0.103 nan 8.250 nan 0.000 0.479 159 I N 3.799 124.458 120.570 0.149 0.000 2.365 159 I HA 0.126 4.310 4.170 0.024 0.000 0.291 159 I C 0.145 176.427 176.117 0.275 0.000 1.004 159 I CA -0.311 61.113 61.300 0.206 0.000 1.311 159 I CB 1.590 39.655 38.000 0.108 0.000 1.401 159 I HN 0.555 nan 8.210 nan 0.000 0.491 160 T N 7.767 122.572 114.554 0.418 0.000 2.786 160 T HA 0.371 4.736 4.350 0.024 0.000 0.283 160 T C -2.434 172.513 174.700 0.412 0.000 0.992 160 T CA -1.331 61.027 62.100 0.431 0.000 0.954 160 T CB 1.832 71.059 68.868 0.598 0.000 0.934 160 T HN 0.299 nan 8.240 nan 0.000 0.440 161 P HA 0.275 nan 4.420 nan 0.000 0.269 161 P C -0.664 176.870 177.300 0.390 0.000 1.215 161 P CA -0.447 62.843 63.100 0.316 0.000 0.780 161 P CB 0.525 32.339 31.700 0.190 0.000 0.898 162 V N -0.490 119.597 119.914 0.287 0.000 3.001 162 V HA 0.740 4.875 4.120 0.024 0.000 0.314 162 V C -1.251 175.006 176.094 0.272 0.000 1.099 162 V CA -0.949 61.426 62.300 0.125 0.000 0.989 162 V CB 2.179 33.865 31.823 -0.228 0.000 1.040 162 V HN 0.329 nan 8.190 nan 0.000 0.434 163 F N 1.921 121.852 119.950 -0.032 0.000 2.547 163 F HA 0.852 5.394 4.527 0.024 0.000 0.316 163 F C -0.886 174.810 175.800 -0.173 0.000 1.121 163 F CA -0.811 57.116 58.000 -0.122 0.000 0.911 163 F CB 2.039 40.999 39.000 -0.066 0.000 1.179 163 F HN 0.520 nan 8.300 nan 0.000 0.443 164 V N 6.512 125.957 119.914 -0.782 0.000 2.540 164 V HA 0.570 4.704 4.120 0.024 0.000 0.302 164 V C -0.722 174.699 176.094 -1.122 0.000 1.035 164 V CA -0.854 60.924 62.300 -0.870 0.000 0.873 164 V CB 1.993 33.228 31.823 -0.980 0.000 0.992 164 V HN 0.746 nan 8.190 nan 0.000 0.428 165 R N 3.454 123.300 120.500 -1.090 0.000 2.437 165 R HA 0.648 5.002 4.340 0.024 0.000 0.310 165 R C -1.636 174.043 176.300 -1.036 0.000 0.955 165 R CA -0.411 55.130 56.100 -0.931 0.000 0.851 165 R CB 1.190 31.113 30.300 -0.629 0.000 1.161 165 R HN 0.561 nan 8.270 nan 0.000 0.446 166 F N 1.779 121.307 119.950 -0.704 0.000 2.432 166 F HA 0.529 5.070 4.527 0.024 0.000 0.329 166 F C 0.447 175.893 175.800 -0.591 0.000 1.076 166 F CA -0.295 57.173 58.000 -0.885 0.000 1.018 166 F CB 2.198 40.158 39.000 -1.733 0.000 1.201 166 F HN 0.604 nan 8.300 nan 0.000 0.489 167 S N -0.941 114.690 115.700 -0.115 0.000 2.615 167 S HA 0.678 5.162 4.470 0.024 0.000 0.269 167 S C -0.678 174.066 174.600 0.240 0.000 1.161 167 S CA -0.909 57.367 58.200 0.126 0.000 0.817 167 S CB 1.453 64.774 63.200 0.201 0.000 1.131 167 S HN 0.724 nan 8.310 nan 0.000 0.467 168 T N -1.646 113.039 114.554 0.218 0.000 2.880 168 T HA 0.703 5.067 4.350 0.024 0.000 0.279 168 T C 0.820 175.477 174.700 -0.072 0.000 0.990 168 T CA -0.326 61.859 62.100 0.142 0.000 0.938 168 T CB 0.671 69.628 68.868 0.149 0.000 1.206 168 T HN 0.557 nan 8.240 nan 0.000 0.573 169 V N 0.160 119.989 119.914 -0.141 0.000 2.743 169 V HA 0.087 4.222 4.120 0.024 0.000 0.237 169 V C 2.777 178.782 176.094 -0.148 0.000 1.113 169 V CA 0.573 62.662 62.300 -0.352 0.000 1.141 169 V CB -0.473 31.240 31.823 -0.183 0.000 0.873 169 V HN 0.900 nan 8.190 nan 0.000 0.486 170 Q N 0.884 120.639 119.800 -0.076 0.000 2.163 170 Q HA 0.092 4.447 4.340 0.024 0.000 0.198 170 Q C 1.235 177.206 176.000 -0.047 0.000 0.954 170 Q CA 1.163 56.921 55.803 -0.075 0.000 0.851 170 Q CB 0.036 28.713 28.738 -0.100 0.000 0.928 170 Q HN 0.586 nan 8.270 nan 0.000 0.459 171 G N -0.165 108.621 108.800 -0.023 0.000 2.537 171 G HA2 0.437 4.412 3.960 0.024 0.000 0.273 171 G HA3 0.437 4.412 3.960 0.024 0.000 0.273 171 G C 0.063 174.967 174.900 0.008 0.000 1.189 171 G CA 0.035 45.126 45.100 -0.014 0.000 0.881 171 G HN 0.307 nan 8.290 nan 0.000 0.535 172 G N -1.210 107.591 108.800 0.002 0.000 2.621 172 G HA2 0.475 4.450 3.960 0.024 0.000 0.271 172 G HA3 0.475 4.450 3.960 0.024 0.000 0.271 172 G C 1.325 176.253 174.900 0.047 0.000 1.236 172 G CA 0.426 45.538 45.100 0.021 0.000 0.958 172 G HN 1.071 nan 8.290 nan 0.000 0.512 173 A N -0.767 122.092 122.820 0.065 0.000 2.076 173 A HA 0.122 4.456 4.320 0.024 0.000 0.220 173 A C 2.156 179.779 177.584 0.065 0.000 1.160 173 A CA 1.987 54.082 52.037 0.098 0.000 0.653 173 A CB -0.318 18.757 19.000 0.125 0.000 0.801 173 A HN 1.133 nan 8.150 nan 0.000 0.455 174 G N -0.358 108.461 108.800 0.032 0.000 3.337 174 G HA2 0.339 4.314 3.960 0.024 0.000 0.246 174 G HA3 0.339 4.314 3.960 0.024 0.000 0.246 174 G C 0.679 175.580 174.900 0.001 0.000 1.131 174 G CA 0.675 45.779 45.100 0.006 0.000 0.773 174 G HN 0.662 nan 8.290 nan 0.000 0.544 175 S N -0.057 115.652 115.700 0.015 0.000 2.641 175 S HA 0.718 5.202 4.470 0.024 0.000 0.261 175 S C 0.518 175.130 174.600 0.020 0.000 1.257 175 S CA 0.034 58.239 58.200 0.008 0.000 0.983 175 S CB 1.508 64.713 63.200 0.008 0.000 0.990 175 S HN 0.604 nan 8.310 nan 0.000 0.572 176 A N 0.228 123.055 122.820 0.011 0.000 2.302 176 A HA 0.446 4.781 4.320 0.024 0.000 0.285 176 A C 0.603 178.204 177.584 0.029 0.000 1.105 176 A CA -0.597 51.443 52.037 0.005 0.000 0.816 176 A CB -0.009 18.977 19.000 -0.024 0.000 1.067 176 A HN 0.872 nan 8.150 nan 0.000 0.489 177 D N 0.422 120.829 120.400 0.012 0.000 2.137 177 D HA -0.060 4.594 4.640 0.024 0.000 0.202 177 D C 1.584 177.842 176.300 -0.069 0.000 0.970 177 D CA 2.241 56.255 54.000 0.023 0.000 0.837 177 D CB -0.167 40.610 40.800 -0.039 0.000 0.981 177 D HN 0.671 nan 8.370 nan 0.000 0.475 178 T N -0.304 114.139 114.554 -0.185 0.000 3.284 178 T HA 0.305 4.670 4.350 0.024 0.000 0.249 178 T C 0.789 175.469 174.700 -0.033 0.000 0.944 178 T CA -0.593 61.389 62.100 -0.197 0.000 0.919 178 T CB -0.885 67.787 68.868 -0.327 0.000 1.089 178 T HN -0.084 nan 8.240 nan 0.000 0.576 179 V N -1.172 118.774 119.914 0.053 0.000 3.319 179 V HA 0.434 4.568 4.120 0.024 0.000 0.303 179 V C 0.719 176.951 176.094 0.230 0.000 1.094 179 V CA -1.392 60.993 62.300 0.143 0.000 1.106 179 V CB 0.335 32.227 31.823 0.114 0.000 1.099 179 V HN 0.565 nan 8.190 nan 0.000 0.476 180 R N 1.591 122.282 120.500 0.317 0.000 2.248 180 R HA 0.455 4.809 4.340 0.024 0.000 0.328 180 R C -0.916 175.459 176.300 0.125 0.000 1.067 180 R CA -0.040 56.190 56.100 0.218 0.000 0.924 180 R CB 0.102 30.452 30.300 0.084 0.000 1.013 180 R HN 1.054 nan 8.270 nan 0.000 0.454 181 D N 3.251 123.739 120.400 0.147 0.000 2.710 181 D HA 0.192 4.847 4.640 0.024 0.000 0.276 181 D C -0.597 175.816 176.300 0.188 0.000 1.267 181 D CA -0.605 53.473 54.000 0.130 0.000 0.772 181 D CB 1.228 42.096 40.800 0.113 0.000 1.299 181 D HN 0.217 nan 8.370 nan 0.000 0.421 182 I N 1.357 122.058 120.570 0.218 0.000 2.779 182 I HA 0.219 4.403 4.170 0.024 0.000 0.285 182 I C 0.860 177.123 176.117 0.243 0.000 1.134 182 I CA -0.060 61.385 61.300 0.241 0.000 1.398 182 I CB 0.017 38.196 38.000 0.298 0.000 1.404 182 I HN 0.223 nan 8.210 nan 0.000 0.587 183 R N 2.910 123.577 120.500 0.278 0.000 2.589 183 R HA 0.574 4.928 4.340 0.024 0.000 0.293 183 R C -0.017 176.486 176.300 0.339 0.000 0.963 183 R CA -0.754 55.528 56.100 0.303 0.000 0.905 183 R CB 1.375 31.871 30.300 0.327 0.000 1.144 183 R HN 0.805 nan 8.270 nan 0.000 0.459 184 G N 0.858 109.878 108.800 0.367 0.000 2.425 184 G HA2 0.501 4.475 3.960 0.024 0.000 0.302 184 G HA3 0.501 4.475 3.960 0.024 0.000 0.302 184 G C -1.309 173.686 174.900 0.159 0.000 1.159 184 G CA -0.089 45.191 45.100 0.300 0.000 0.865 184 G HN 0.355 nan 8.290 nan 0.000 0.515 185 F N 1.619 121.486 119.950 -0.138 0.000 3.034 185 F HA 0.638 5.179 4.527 0.024 0.000 0.371 185 F C -0.271 175.261 175.800 -0.446 0.000 1.233 185 F CA -1.734 56.095 58.000 -0.285 0.000 1.134 185 F CB 1.136 40.084 39.000 -0.087 0.000 1.495 185 F HN 0.675 nan 8.300 nan 0.000 0.563 186 A N 3.430 126.024 122.820 -0.378 0.000 2.318 186 A HA 0.798 5.133 4.320 0.024 0.000 0.317 186 A C -0.737 176.446 177.584 -0.668 0.000 1.159 186 A CA -0.483 51.163 52.037 -0.651 0.000 0.799 186 A CB 0.982 19.220 19.000 -1.270 0.000 1.194 186 A HN 0.534 nan 8.150 nan 0.000 0.479 187 T N 2.247 116.577 114.554 -0.373 0.000 2.840 187 T HA 0.377 4.741 4.350 0.024 0.000 0.287 187 T C -0.377 174.169 174.700 -0.257 0.000 0.991 187 T CA -0.452 61.432 62.100 -0.360 0.000 0.964 187 T CB 1.058 69.633 68.868 -0.489 0.000 0.954 187 T HN 0.632 nan 8.240 nan 0.000 0.438 188 K N 3.559 123.866 120.400 -0.156 0.000 2.264 188 K HA 0.441 4.776 4.320 0.024 0.000 0.277 188 K C -1.223 175.048 176.600 -0.548 0.000 1.067 188 K CA -0.567 55.505 56.287 -0.357 0.000 0.900 188 K CB 0.269 32.462 32.500 -0.512 0.000 1.124 188 K HN 0.379 nan 8.250 nan 0.000 0.469 189 F N 4.326 123.973 119.950 -0.504 0.000 2.391 189 F HA 0.231 4.773 4.527 0.024 0.000 0.359 189 F C -0.413 175.178 175.800 -0.349 0.000 1.122 189 F CA -0.541 57.230 58.000 -0.381 0.000 1.120 189 F CB 0.665 39.341 39.000 -0.540 0.000 1.142 189 F HN 0.432 nan 8.300 nan 0.000 0.483 190 Y N 1.904 122.255 120.300 0.086 0.000 2.691 190 Y HA 0.242 4.806 4.550 0.024 0.000 0.338 190 Y C 0.999 176.947 175.900 0.079 0.000 1.148 190 Y CA -0.851 57.280 58.100 0.051 0.000 1.430 190 Y CB -0.008 38.472 38.460 0.035 0.000 1.303 190 Y HN 0.574 nan 8.280 nan 0.000 0.499 191 T N -2.320 112.325 114.554 0.151 0.000 2.824 191 T HA 0.188 4.553 4.350 0.024 0.000 0.277 191 T C 0.981 175.771 174.700 0.150 0.000 0.975 191 T CA -0.680 61.513 62.100 0.154 0.000 0.966 191 T CB 1.062 69.992 68.868 0.102 0.000 1.054 191 T HN 0.637 nan 8.240 nan 0.000 0.533 192 E N -0.159 120.134 120.200 0.154 0.000 2.427 192 E HA -0.011 4.353 4.350 0.024 0.000 0.196 192 E C 0.947 177.611 176.600 0.107 0.000 1.028 192 E CA 0.607 57.080 56.400 0.123 0.000 0.864 192 E CB 0.144 29.913 29.700 0.116 0.000 0.813 192 E HN 0.713 nan 8.360 nan 0.000 0.514 193 E N 0.108 120.374 120.200 0.110 0.000 2.734 193 E HA 0.261 4.625 4.350 0.024 0.000 0.211 193 E C 0.006 176.653 176.600 0.079 0.000 0.991 193 E CA -0.267 56.191 56.400 0.096 0.000 1.065 193 E CB 1.384 31.145 29.700 0.101 0.000 1.047 193 E HN 0.179 nan 8.360 nan 0.000 0.470 194 G N 1.137 109.977 108.800 0.067 0.000 2.406 194 G HA2 -0.112 3.863 3.960 0.024 0.000 0.680 194 G HA3 -0.112 3.863 3.960 0.024 0.000 0.680 194 G C -0.973 173.931 174.900 0.007 0.000 1.338 194 G CA -1.123 43.992 45.100 0.026 0.000 0.941 194 G HN 0.015 nan 8.290 nan 0.000 0.633 195 I N 0.867 121.408 120.570 -0.049 0.000 2.533 195 I HA 0.390 4.574 4.170 0.024 0.000 0.284 195 I C 0.192 176.310 176.117 0.001 0.000 1.109 195 I CA -0.221 61.021 61.300 -0.097 0.000 1.412 195 I CB 0.621 38.499 38.000 -0.203 0.000 1.396 195 I HN 0.468 nan 8.210 nan 0.000 0.543 196 F N 6.951 126.781 119.950 -0.200 0.000 2.426 196 F HA 0.457 4.998 4.527 0.024 0.000 0.348 196 F C -0.509 175.237 175.800 -0.089 0.000 1.124 196 F CA -1.179 56.704 58.000 -0.195 0.000 1.008 196 F CB 0.776 39.497 39.000 -0.465 0.000 1.139 196 F HN 0.352 nan 8.300 nan 0.000 0.452 197 D N 6.508 126.718 120.400 -0.317 0.000 2.303 197 D HA 0.258 4.912 4.640 0.024 0.000 0.236 197 D C -1.032 174.803 176.300 -0.775 0.000 1.068 197 D CA -0.129 53.622 54.000 -0.415 0.000 0.830 197 D CB 2.174 42.920 40.800 -0.089 0.000 1.109 197 D HN 0.474 nan 8.370 nan 0.000 0.496 198 L N 3.977 124.708 121.223 -0.819 0.000 2.287 198 L HA 0.276 4.631 4.340 0.024 0.000 0.280 198 L C -1.061 175.603 176.870 -0.343 0.000 1.055 198 L CA -0.626 53.806 54.840 -0.680 0.000 0.863 198 L CB 1.023 42.722 42.059 -0.599 0.000 1.245 198 L HN 0.088 nan 8.230 nan 0.000 0.432 199 V N 5.773 125.521 119.914 -0.277 0.000 2.259 199 V HA 0.719 4.854 4.120 0.024 0.000 0.267 199 V C 0.761 176.760 176.094 -0.158 0.000 1.051 199 V CA -0.119 62.027 62.300 -0.256 0.000 0.830 199 V CB 0.452 32.084 31.823 -0.318 0.000 1.080 199 V HN 0.829 nan 8.190 nan 0.000 0.467 200 G N 3.326 112.054 108.800 -0.121 0.000 2.735 200 G HA2 0.664 4.639 3.960 0.024 0.000 0.301 200 G HA3 0.664 4.639 3.960 0.024 0.000 0.301 200 G C -0.907 174.022 174.900 0.049 0.000 1.279 200 G CA -0.607 44.473 45.100 -0.034 0.000 1.019 200 G HN 0.478 nan 8.290 nan 0.000 0.497 201 N N -0.943 117.832 118.700 0.126 0.000 2.701 201 N HA 0.249 5.003 4.740 0.024 0.000 0.290 201 N C 0.438 176.145 175.510 0.329 0.000 1.338 201 N CA -0.779 52.413 53.050 0.236 0.000 0.799 201 N CB 1.302 39.918 38.487 0.215 0.000 1.491 201 N HN 0.538 nan 8.380 nan 0.000 0.540 202 N N -1.293 117.619 118.700 0.353 0.000 2.314 202 N HA -0.010 4.745 4.740 0.024 0.000 0.200 202 N C -0.491 175.290 175.510 0.452 0.000 1.135 202 N CA -0.081 53.236 53.050 0.445 0.000 0.835 202 N CB -0.215 38.505 38.487 0.388 0.000 0.989 202 N HN 0.550 nan 8.380 nan 0.000 0.478 203 T N -3.746 110.881 114.554 0.121 0.000 2.906 203 T HA 0.486 4.850 4.350 0.024 0.000 0.295 203 T C -2.699 171.345 174.700 -1.092 0.000 1.075 203 T CA -1.613 60.094 62.100 -0.656 0.000 1.005 203 T CB 2.882 71.287 68.868 -0.773 0.000 1.136 203 T HN -0.229 nan 8.240 nan 0.000 0.498 204 P HA 0.256 nan 4.420 nan 0.000 0.257 204 P C 0.186 176.947 177.300 -0.898 0.000 1.281 204 P CA -0.053 62.104 63.100 -1.571 0.000 0.826 204 P CB -0.114 30.607 31.700 -1.633 0.000 1.237 205 I N -4.480 115.542 120.570 -0.913 0.000 3.279 205 I HA 0.545 4.730 4.170 0.024 0.000 0.315 205 I C -1.433 174.398 176.117 -0.477 0.000 1.187 205 I CA -1.953 58.967 61.300 -0.634 0.000 0.953 205 I CB 1.423 39.002 38.000 -0.701 0.000 1.279 205 I HN -0.247 nan 8.210 nan 0.000 0.465 206 F N 0.422 120.072 119.950 -0.501 0.000 2.613 206 F HA 0.519 5.061 4.527 0.024 0.000 0.342 206 F C 0.374 175.905 175.800 -0.448 0.000 1.066 206 F CA -0.719 57.025 58.000 -0.427 0.000 1.002 206 F CB 1.905 40.781 39.000 -0.206 0.000 1.319 206 F HN 0.376 nan 8.300 nan 0.000 0.495 207 F N 2.049 121.181 119.950 -1.362 0.000 2.367 207 F HA 0.097 4.638 4.527 0.024 0.000 0.298 207 F C 0.575 176.065 175.800 -0.517 0.000 1.094 207 F CA 0.568 57.991 58.000 -0.961 0.000 1.409 207 F CB -0.086 37.934 39.000 -1.634 0.000 1.064 207 F HN 0.115 nan 8.300 nan 0.000 0.528 208 I N -3.447 117.082 120.570 -0.069 0.000 3.002 208 I HA 0.389 4.574 4.170 0.024 0.000 0.310 208 I C 0.351 176.598 176.117 0.216 0.000 1.087 208 I CA -0.842 60.529 61.300 0.118 0.000 1.017 208 I CB 1.903 40.029 38.000 0.211 0.000 1.226 208 I HN -0.190 nan 8.210 nan 0.000 0.443 209 Q N 0.251 120.183 119.800 0.219 0.000 2.349 209 Q HA 0.154 4.508 4.340 0.024 0.000 0.209 209 Q C -0.368 175.795 176.000 0.271 0.000 0.920 209 Q CA 0.584 56.557 55.803 0.285 0.000 0.901 209 Q CB 0.560 29.532 28.738 0.389 0.000 1.021 209 Q HN 0.642 nan 8.270 nan 0.000 0.519 210 D N -1.121 119.413 120.400 0.223 0.000 2.649 210 D HA 0.302 4.956 4.640 0.024 0.000 0.249 210 D C 0.046 176.466 176.300 0.200 0.000 1.112 210 D CA -0.206 53.898 54.000 0.173 0.000 0.850 210 D CB 1.837 42.715 40.800 0.131 0.000 1.399 210 D HN 0.039 nan 8.370 nan 0.000 0.503 211 A N 3.411 126.319 122.820 0.148 0.000 2.032 211 A HA -0.260 4.075 4.320 0.024 0.000 0.221 211 A C 1.795 179.491 177.584 0.186 0.000 1.165 211 A CA 1.782 53.902 52.037 0.138 0.000 0.645 211 A CB -0.811 18.214 19.000 0.041 0.000 0.807 211 A HN 0.815 nan 8.150 nan 0.000 0.453 212 H N 0.028 119.153 119.070 0.091 0.000 2.460 212 H HA -0.048 4.522 4.556 0.024 0.000 0.297 212 H C 1.545 176.951 175.328 0.131 0.000 1.103 212 H CA 1.912 58.010 56.048 0.083 0.000 1.292 212 H CB 0.049 29.838 29.762 0.046 0.000 1.376 212 H HN 0.429 nan 8.280 nan 0.000 0.531 213 K N -0.737 119.791 120.400 0.214 0.000 2.404 213 K HA -0.034 4.301 4.320 0.024 0.000 0.194 213 K C 1.391 178.139 176.600 0.245 0.000 1.023 213 K CA -0.010 56.407 56.287 0.216 0.000 1.094 213 K CB 0.081 32.762 32.500 0.301 0.000 0.841 213 K HN 0.302 nan 8.250 nan 0.000 0.523 214 F N 2.837 122.843 119.950 0.094 0.000 2.134 214 F HA -0.107 4.435 4.527 0.023 0.000 0.299 214 F C -1.035 174.784 175.800 0.031 0.000 1.097 214 F CA 1.085 59.172 58.000 0.144 0.000 1.264 214 F CB -0.316 38.753 39.000 0.115 0.000 1.001 214 F HN 0.008 nan 8.300 nan 0.000 0.479 215 P HA -0.122 nan 4.420 nan 0.000 0.220 215 P C 0.938 177.926 177.300 -0.521 0.000 1.148 215 P CA 1.573 64.442 63.100 -0.385 0.000 0.803 215 P CB -0.047 31.439 31.700 -0.356 0.000 0.782 216 D N -1.169 119.078 120.400 -0.254 0.000 2.084 216 D HA -0.155 4.500 4.640 0.024 0.000 0.196 216 D C 1.806 177.844 176.300 -0.438 0.000 0.985 216 D CA 1.051 54.946 54.000 -0.176 0.000 0.826 216 D CB -0.858 40.016 40.800 0.123 0.000 0.978 216 D HN 0.161 nan 8.370 nan 0.000 0.456 217 F N 1.971 121.532 119.950 -0.649 0.000 2.095 217 F HA -0.229 4.313 4.527 0.024 0.000 0.298 217 F C 2.260 177.677 175.800 -0.637 0.000 1.104 217 F CA 1.168 58.576 58.000 -0.986 0.000 1.232 217 F CB -0.205 38.438 39.000 -0.595 0.000 0.987 217 F HN -0.253 nan 8.300 nan 0.000 0.475 218 V N 0.358 119.857 119.914 -0.691 0.000 2.343 218 V HA -0.338 3.797 4.120 0.024 0.000 0.247 218 V C 2.290 178.163 176.094 -0.368 0.000 1.051 218 V CA 2.438 64.361 62.300 -0.628 0.000 1.036 218 V CB -1.063 30.413 31.823 -0.579 0.000 0.654 218 V HN 0.476 nan 8.190 nan 0.000 0.451 219 H N -0.269 118.577 119.070 -0.374 0.000 2.387 219 H HA -0.146 4.425 4.556 0.024 0.000 0.299 219 H C 2.291 177.473 175.328 -0.244 0.000 1.099 219 H CA 1.065 56.972 56.048 -0.235 0.000 1.315 219 H CB 0.058 29.731 29.762 -0.149 0.000 1.380 219 H HN 0.493 nan 8.280 nan 0.000 0.513 220 A N 0.355 123.010 122.820 -0.276 0.000 1.968 220 A HA -0.075 4.259 4.320 0.024 0.000 0.217 220 A C 2.458 179.892 177.584 -0.250 0.000 1.169 220 A CA 1.102 52.978 52.037 -0.267 0.000 0.638 220 A CB -0.486 18.240 19.000 -0.456 0.000 0.812 220 A HN 0.298 nan 8.150 nan 0.000 0.446 221 V N -0.340 119.298 119.914 -0.459 0.000 2.878 221 V HA 0.023 4.158 4.120 0.024 0.000 0.250 221 V C 0.832 176.886 176.094 -0.066 0.000 1.075 221 V CA 0.751 62.847 62.300 -0.339 0.000 1.096 221 V CB -0.426 30.980 31.823 -0.696 0.000 0.724 221 V HN 0.313 nan 8.190 nan 0.000 0.467 222 K N 1.047 121.375 120.400 -0.120 0.000 2.149 222 K HA 0.253 4.587 4.320 0.024 0.000 0.245 222 K C -2.308 174.245 176.600 -0.077 0.000 1.024 222 K CA -1.714 54.519 56.287 -0.090 0.000 0.899 222 K CB -0.261 32.182 32.500 -0.096 0.000 1.038 222 K HN 0.152 nan 8.250 nan 0.000 0.496 223 P HA -0.009 nan 4.420 nan 0.000 0.267 223 P C -0.507 176.737 177.300 -0.093 0.000 1.200 223 P CA 0.357 63.321 63.100 -0.228 0.000 0.772 223 P CB 0.388 31.965 31.700 -0.205 0.000 0.855 224 E N 4.479 124.670 120.200 -0.015 0.000 2.383 224 E HA 0.020 4.385 4.350 0.024 0.000 0.264 224 E C -1.326 175.353 176.600 0.132 0.000 1.050 224 E CA -1.343 55.153 56.400 0.160 0.000 0.896 224 E CB 0.248 30.166 29.700 0.364 0.000 0.982 224 E HN 0.417 nan 8.360 nan 0.000 0.424 225 P HA -0.156 nan 4.420 nan 0.000 0.227 225 P C 0.911 178.288 177.300 0.128 0.000 1.161 225 P CA 1.141 64.286 63.100 0.075 0.000 0.788 225 P CB 0.116 31.829 31.700 0.023 0.000 0.822 226 H N -0.611 118.497 119.070 0.063 0.000 2.333 226 H HA -0.073 4.497 4.556 0.024 0.000 0.302 226 H C 1.420 176.848 175.328 0.166 0.000 1.075 226 H CA 1.402 57.475 56.048 0.042 0.000 1.348 226 H CB -1.289 28.424 29.762 -0.080 0.000 1.393 226 H HN 0.292 nan 8.280 nan 0.000 0.509 227 W N -0.037 120.939 121.300 -0.540 0.000 2.870 227 W HA 0.698 5.372 4.660 0.023 0.000 0.358 227 W C 0.489 176.851 176.519 -0.262 0.000 1.043 227 W CA -1.084 56.046 57.345 -0.358 0.000 1.692 227 W CB -0.717 28.502 29.460 -0.401 0.000 1.100 227 W HN 0.427 nan 8.180 nan 0.000 0.557 228 A N 1.272 124.077 122.820 -0.025 0.000 2.667 228 A HA -0.151 4.184 4.320 0.024 0.000 0.298 228 A C -0.392 176.964 177.584 -0.379 0.000 1.483 228 A CA 1.414 53.352 52.037 -0.165 0.000 0.738 228 A CB -2.371 16.561 19.000 -0.113 0.000 1.067 228 A HN 0.466 nan 8.150 nan 0.000 0.451 229 I N 0.505 120.698 120.570 -0.629 0.000 2.730 229 I HA 0.542 4.726 4.170 0.024 0.000 0.298 229 I C -2.404 173.391 176.117 -0.536 0.000 1.089 229 I CA -2.523 58.304 61.300 -0.789 0.000 1.041 229 I CB 2.892 39.888 38.000 -1.674 0.000 1.235 229 I HN 0.203 nan 8.210 nan 0.000 0.423 230 P HA 0.278 nan 4.420 nan 0.000 0.290 230 P C -1.509 175.621 177.300 -0.284 0.000 1.283 230 P CA -0.750 62.123 63.100 -0.378 0.000 0.869 230 P CB 1.470 33.019 31.700 -0.253 0.000 1.100 231 Q N 0.981 120.660 119.800 -0.202 0.000 2.288 231 Q HA 0.472 4.827 4.340 0.024 0.000 0.254 231 Q C 1.143 177.097 176.000 -0.078 0.000 0.932 231 Q CA 1.064 56.787 55.803 -0.133 0.000 0.902 231 Q CB -0.261 28.411 28.738 -0.110 0.000 1.203 231 Q HN 0.821 nan 8.270 nan 0.000 0.415 232 G N 3.040 111.804 108.800 -0.060 0.000 2.179 232 G HA2 -0.290 3.684 3.960 0.024 0.000 0.257 232 G HA3 -0.290 3.684 3.960 0.024 0.000 0.257 232 G C -0.372 174.532 174.900 0.007 0.000 1.010 232 G CA 0.540 45.630 45.100 -0.016 0.000 0.736 232 G HN 0.540 nan 8.290 nan 0.000 0.513 233 Q N -1.103 118.688 119.800 -0.016 0.000 2.309 233 Q HA 0.539 4.893 4.340 0.024 0.000 0.273 233 Q C 0.682 176.687 176.000 0.007 0.000 1.040 233 Q CA -0.107 55.717 55.803 0.036 0.000 0.834 233 Q CB 1.788 30.583 28.738 0.096 0.000 1.345 233 Q HN 0.443 nan 8.270 nan 0.000 0.414 234 S N -0.614 115.007 115.700 -0.132 0.000 2.575 234 S HA 0.233 4.718 4.470 0.024 0.000 0.215 234 S C 0.790 175.354 174.600 -0.059 0.000 0.966 234 S CA -0.092 57.828 58.200 -0.466 0.000 0.911 234 S CB 0.381 62.744 63.200 -1.395 0.000 0.780 234 S HN 0.578 nan 8.310 nan 0.000 0.514 235 A N 2.386 125.352 122.820 0.244 0.000 3.037 235 A HA 0.559 4.893 4.320 0.024 0.000 0.272 235 A C 0.080 177.911 177.584 0.412 0.000 1.723 235 A CA -0.594 51.666 52.037 0.371 0.000 1.413 235 A CB -1.128 18.024 19.000 0.254 0.000 1.112 235 A HN 0.888 nan 8.150 nan 0.000 0.606 236 H N -3.257 116.012 119.070 0.333 0.000 3.003 236 H HA 0.483 5.053 4.556 0.024 0.000 0.327 236 H C -0.360 175.174 175.328 0.344 0.000 1.353 236 H CA -0.725 55.481 56.048 0.263 0.000 1.142 236 H CB 0.271 30.142 29.762 0.181 0.000 1.864 236 H HN 0.077 nan 8.280 nan 0.000 0.529 237 D N 0.066 120.642 120.400 0.293 0.000 2.123 237 D HA -0.166 4.488 4.640 0.024 0.000 0.196 237 D C 2.052 178.415 176.300 0.105 0.000 0.992 237 D CA 2.833 56.938 54.000 0.176 0.000 0.833 237 D CB -0.221 40.659 40.800 0.134 0.000 0.954 237 D HN 0.766 nan 8.370 nan 0.000 0.455 238 T N -1.739 112.867 114.554 0.087 0.000 2.904 238 T HA -0.154 4.210 4.350 0.024 0.000 0.267 238 T C 1.874 176.510 174.700 -0.106 0.000 1.059 238 T CA 0.399 62.517 62.100 0.030 0.000 1.137 238 T CB -0.631 68.304 68.868 0.112 0.000 0.879 238 T HN 0.140 nan 8.240 nan 0.000 0.467 239 F N 0.875 120.505 119.950 -0.534 0.000 2.075 239 F HA 0.064 4.606 4.527 0.024 0.000 0.297 239 F C 1.762 177.307 175.800 -0.425 0.000 1.113 239 F CA 0.791 58.412 58.000 -0.633 0.000 1.218 239 F CB -0.557 37.876 39.000 -0.944 0.000 0.984 239 F HN 0.147 nan 8.300 nan 0.000 0.472 240 W N 0.554 121.770 121.300 -0.140 0.000 2.467 240 W HA -0.046 4.629 4.660 0.024 0.000 0.275 240 W C 2.278 178.708 176.519 -0.149 0.000 1.239 240 W CA 0.995 58.241 57.345 -0.165 0.000 1.266 240 W CB -0.672 28.787 29.460 -0.002 0.000 1.112 240 W HN 0.068 nan 8.180 nan 0.000 0.576 241 D N -0.452 119.988 120.400 0.066 0.000 2.092 241 D HA -0.311 4.343 4.640 0.024 0.000 0.193 241 D C 1.905 178.205 176.300 -0.000 0.000 0.994 241 D CA 1.602 55.624 54.000 0.036 0.000 0.828 241 D CB -0.556 40.274 40.800 0.050 0.000 0.963 241 D HN 0.179 nan 8.370 nan 0.000 0.450 242 Y N 0.454 120.649 120.300 -0.176 0.000 2.128 242 Y HA -0.218 4.347 4.550 0.025 0.000 0.284 242 Y C 2.287 178.056 175.900 -0.219 0.000 1.154 242 Y CA 1.581 59.567 58.100 -0.190 0.000 1.149 242 Y CB -0.501 37.810 38.460 -0.248 0.000 0.976 242 Y HN -0.094 nan 8.280 nan 0.000 0.505 243 V N 0.151 119.949 119.914 -0.193 0.000 2.287 243 V HA -0.362 3.772 4.120 0.024 0.000 0.248 243 V C 2.619 178.659 176.094 -0.090 0.000 1.053 243 V CA 2.321 64.497 62.300 -0.207 0.000 1.027 243 V CB -1.324 30.267 31.823 -0.386 0.000 0.646 243 V HN 0.669 nan 8.190 nan 0.000 0.447 244 S N -0.259 115.430 115.700 -0.017 0.000 2.442 244 S HA -0.079 4.406 4.470 0.024 0.000 0.236 244 S C 1.702 176.273 174.600 -0.048 0.000 1.007 244 S CA 1.476 59.688 58.200 0.021 0.000 0.965 244 S CB -0.457 62.782 63.200 0.065 0.000 0.773 244 S HN 0.570 nan 8.310 nan 0.000 0.504 245 L N -0.229 120.916 121.223 -0.130 0.000 2.590 245 L HA 0.324 4.679 4.340 0.024 0.000 0.227 245 L C 0.566 177.266 176.870 -0.282 0.000 1.099 245 L CA 0.115 54.849 54.840 -0.178 0.000 0.872 245 L CB 0.047 42.001 42.059 -0.175 0.000 1.088 245 L HN 0.242 nan 8.230 nan 0.000 0.479 246 Q N 0.613 120.201 119.800 -0.353 0.000 2.932 246 Q HA 0.232 4.586 4.340 0.024 0.000 0.248 246 Q C -1.946 173.835 176.000 -0.365 0.000 0.982 246 Q CA -1.458 54.096 55.803 -0.414 0.000 0.730 246 Q CB 1.532 29.923 28.738 -0.578 0.000 1.249 246 Q HN 0.002 nan 8.270 nan 0.000 0.476 247 P HA -0.217 nan 4.420 nan 0.000 0.226 247 P C 0.909 177.884 177.300 -0.543 0.000 1.146 247 P CA 1.080 63.926 63.100 -0.423 0.000 0.773 247 P CB 0.269 31.692 31.700 -0.461 0.000 0.772 248 E N 0.692 120.454 120.200 -0.730 0.000 2.204 248 E HA -0.167 4.198 4.350 0.024 0.000 0.195 248 E C 1.503 178.039 176.600 -0.108 0.000 0.990 248 E CA 1.809 58.008 56.400 -0.334 0.000 0.821 248 E CB -1.330 28.253 29.700 -0.194 0.000 0.750 248 E HN 0.278 nan 8.360 nan 0.000 0.477 249 T N -0.561 113.940 114.554 -0.088 0.000 3.072 249 T HA 0.014 4.379 4.350 0.024 0.000 0.266 249 T C 1.926 176.686 174.700 0.101 0.000 1.127 249 T CA 0.407 62.527 62.100 0.033 0.000 1.107 249 T CB -0.303 68.616 68.868 0.084 0.000 0.910 249 T HN 0.136 nan 8.240 nan 0.000 0.513 250 L N -0.094 121.192 121.223 0.106 0.000 2.201 250 L HA -0.029 4.325 4.340 0.024 0.000 0.212 250 L C 2.819 179.860 176.870 0.285 0.000 1.105 250 L CA 1.547 56.525 54.840 0.231 0.000 0.775 250 L CB -0.679 41.526 42.059 0.243 0.000 0.913 250 L HN 0.479 nan 8.230 nan 0.000 0.440 251 H N -0.094 119.020 119.070 0.074 0.000 2.299 251 H HA -0.173 4.398 4.556 0.024 0.000 0.302 251 H C 2.114 177.436 175.328 -0.010 0.000 1.078 251 H CA 1.630 57.720 56.048 0.070 0.000 1.323 251 H CB 0.286 30.048 29.762 -0.000 0.000 1.381 251 H HN 0.345 nan 8.280 nan 0.000 0.498 252 N N -0.104 118.421 118.700 -0.291 0.000 2.331 252 N HA -0.116 4.638 4.740 0.024 0.000 0.180 252 N C 1.871 177.211 175.510 -0.283 0.000 1.019 252 N CA 0.556 53.211 53.050 -0.659 0.000 0.881 252 N CB 0.329 37.937 38.487 -1.465 0.000 0.972 252 N HN 0.119 nan 8.380 nan 0.000 0.435 253 V N 1.658 121.635 119.914 0.104 0.000 2.343 253 V HA -0.247 3.887 4.120 0.024 0.000 0.247 253 V C 2.479 178.700 176.094 0.212 0.000 1.051 253 V CA 1.212 63.710 62.300 0.330 0.000 1.036 253 V CB -0.353 31.708 31.823 0.397 0.000 0.654 253 V HN 0.399 nan 8.190 nan 0.000 0.451 254 M N -1.531 118.235 119.600 0.277 0.000 2.082 254 M HA -0.244 4.250 4.480 0.024 0.000 0.258 254 M C 2.089 178.358 176.300 -0.053 0.000 1.069 254 M CA 2.018 57.466 55.300 0.246 0.000 1.102 254 M CB -1.274 31.507 32.600 0.301 0.000 1.336 254 M HN 0.472 nan 8.290 nan 0.000 0.404 255 W N 0.399 121.408 121.300 -0.485 0.000 2.363 255 W HA -0.064 4.611 4.660 0.024 0.000 0.296 255 W C 2.802 179.244 176.519 -0.128 0.000 1.212 255 W CA 1.750 58.797 57.345 -0.497 0.000 1.260 255 W CB -0.889 28.216 29.460 -0.590 0.000 1.131 255 W HN 0.294 nan 8.180 nan 0.000 0.530 256 A N -0.637 122.263 122.820 0.134 0.000 1.969 256 A HA -0.165 4.169 4.320 0.024 0.000 0.218 256 A C 1.920 179.549 177.584 0.075 0.000 1.169 256 A CA 1.528 53.647 52.037 0.137 0.000 0.635 256 A CB -0.557 18.553 19.000 0.184 0.000 0.810 256 A HN 0.089 nan 8.150 nan 0.000 0.445 257 M N 0.755 120.356 119.600 0.002 0.000 2.419 257 M HA 0.008 4.503 4.480 0.024 0.000 0.264 257 M C 1.481 177.821 176.300 0.066 0.000 1.082 257 M CA 0.849 56.093 55.300 -0.094 0.000 1.119 257 M CB -1.439 30.839 32.600 -0.537 0.000 1.398 257 M HN 0.544 nan 8.290 nan 0.000 0.453 258 S N 0.295 116.093 115.700 0.164 0.000 2.641 258 S HA 0.090 4.574 4.470 0.024 0.000 0.261 258 S C 0.718 175.449 174.600 0.217 0.000 1.257 258 S CA -0.449 57.893 58.200 0.238 0.000 0.983 258 S CB 0.931 64.325 63.200 0.323 0.000 0.990 258 S HN 0.172 nan 8.310 nan 0.000 0.572 259 D N 0.181 120.729 120.400 0.247 0.000 2.378 259 D HA 0.020 4.674 4.640 0.024 0.000 0.222 259 D C 1.820 178.268 176.300 0.247 0.000 0.980 259 D CA 0.350 54.514 54.000 0.274 0.000 0.907 259 D CB -0.162 40.867 40.800 0.381 0.000 0.899 259 D HN 0.388 nan 8.370 nan 0.000 0.527 260 R N 0.114 120.755 120.500 0.234 0.000 2.200 260 R HA -0.046 4.308 4.340 0.024 0.000 0.234 260 R C 1.971 178.433 176.300 0.270 0.000 1.127 260 R CA 0.927 57.193 56.100 0.276 0.000 0.989 260 R CB -0.638 29.897 30.300 0.393 0.000 0.869 260 R HN 0.167 nan 8.270 nan 0.000 0.459 261 G N 1.169 110.112 108.800 0.238 0.000 2.920 261 G HA2 0.031 4.006 3.960 0.024 0.000 0.208 261 G HA3 0.031 4.006 3.960 0.024 0.000 0.208 261 G C 0.977 176.018 174.900 0.234 0.000 1.159 261 G CA -0.052 45.178 45.100 0.218 0.000 0.784 261 G HN 0.395 nan 8.290 nan 0.000 0.535 262 I N -2.129 118.590 120.570 0.249 0.000 2.926 262 I HA 0.364 4.548 4.170 0.024 0.000 0.295 262 I C -2.881 173.393 176.117 0.261 0.000 1.463 262 I CA -2.607 58.847 61.300 0.256 0.000 0.892 262 I CB 1.744 39.898 38.000 0.257 0.000 1.874 262 I HN -0.270 nan 8.210 nan 0.000 0.620 263 P HA 0.085 nan 4.420 nan 0.000 0.269 263 P C 0.607 178.055 177.300 0.248 0.000 1.209 263 P CA -0.168 63.052 63.100 0.200 0.000 0.776 263 P CB 1.169 32.923 31.700 0.090 0.000 0.876 264 R N 1.896 122.522 120.500 0.209 0.000 2.096 264 R HA -0.006 4.348 4.340 0.024 0.000 0.235 264 R C 0.505 176.944 176.300 0.232 0.000 1.127 264 R CA 1.627 57.894 56.100 0.278 0.000 0.968 264 R CB -0.498 29.941 30.300 0.232 0.000 0.861 264 R HN 0.556 nan 8.270 nan 0.000 0.440 265 S N -3.199 112.440 115.700 -0.101 0.000 2.587 265 S HA 0.232 4.716 4.470 0.024 0.000 0.269 265 S C -0.352 173.926 174.600 -0.536 0.000 1.154 265 S CA -0.837 57.108 58.200 -0.426 0.000 0.824 265 S CB 0.091 63.191 63.200 -0.167 0.000 1.118 265 S HN 0.108 nan 8.310 nan 0.000 0.462 266 Y N 1.900 121.822 120.300 -0.630 0.000 2.403 266 Y HA 0.091 4.655 4.550 0.024 0.000 0.291 266 Y C 2.339 177.884 175.900 -0.592 0.000 1.143 266 Y CA 0.996 58.595 58.100 -0.834 0.000 1.257 266 Y CB -0.332 37.221 38.460 -1.513 0.000 0.984 266 Y HN 0.539 nan 8.280 nan 0.000 0.550 267 R N -0.516 119.854 120.500 -0.216 0.000 2.235 267 R HA -0.039 4.316 4.340 0.024 0.000 0.213 267 R C 0.979 177.239 176.300 -0.067 0.000 1.059 267 R CA 1.527 57.557 56.100 -0.117 0.000 0.997 267 R CB -0.384 29.842 30.300 -0.123 0.000 0.884 267 R HN 0.328 nan 8.270 nan 0.000 0.462 268 T N -1.923 112.609 114.554 -0.038 0.000 3.374 268 T HA 0.354 4.719 4.350 0.024 0.000 0.267 268 T C 0.143 174.883 174.700 0.067 0.000 0.996 268 T CA -0.700 61.406 62.100 0.009 0.000 0.977 268 T CB -0.057 68.802 68.868 -0.015 0.000 1.149 268 T HN 0.068 nan 8.240 nan 0.000 0.517 269 M N -1.131 118.548 119.600 0.133 0.000 2.690 269 M HA 0.748 5.242 4.480 0.024 0.000 0.302 269 M C -1.053 175.431 176.300 0.307 0.000 1.234 269 M CA -0.901 54.522 55.300 0.205 0.000 0.853 269 M CB 2.116 34.835 32.600 0.198 0.000 1.748 269 M HN -0.139 nan 8.290 nan 0.000 0.469 270 E N 0.236 120.616 120.200 0.301 0.000 2.314 270 E HA 0.666 5.031 4.350 0.024 0.000 0.262 270 E C -0.374 176.320 176.600 0.156 0.000 1.093 270 E CA -0.596 55.915 56.400 0.185 0.000 0.908 270 E CB 1.822 31.568 29.700 0.077 0.000 1.091 270 E HN 0.859 nan 8.360 nan 0.000 0.425 271 G N 0.585 109.293 108.800 -0.154 0.000 2.498 271 G HA2 0.657 4.632 3.960 0.024 0.000 0.312 271 G HA3 0.657 4.632 3.960 0.024 0.000 0.312 271 G C -1.448 172.984 174.900 -0.781 0.000 1.230 271 G CA -0.489 44.490 45.100 -0.201 0.000 0.968 271 G HN 0.313 nan 8.290 nan 0.000 0.481 272 F N -0.687 119.202 119.950 -0.102 0.000 2.615 272 F HA 0.460 5.001 4.527 0.024 0.000 0.312 272 F C 1.048 176.755 175.800 -0.155 0.000 1.119 272 F CA -0.600 57.265 58.000 -0.226 0.000 0.979 272 F CB 2.433 41.248 39.000 -0.308 0.000 1.266 272 F HN 0.626 nan 8.300 nan 0.000 0.444 273 G N 0.582 109.449 108.800 0.111 0.000 2.650 273 G HA2 0.213 4.187 3.960 0.024 0.000 0.214 273 G HA3 0.213 4.187 3.960 0.024 0.000 0.214 273 G C 1.069 176.034 174.900 0.108 0.000 1.136 273 G CA 0.918 46.138 45.100 0.200 0.000 0.789 273 G HN 0.699 nan 8.290 nan 0.000 0.536 274 V N -0.230 119.661 119.914 -0.039 0.000 0.550 274 V HA -0.303 3.832 4.120 0.024 0.000 0.092 274 V C 0.967 176.912 176.094 -0.248 0.000 2.065 274 V CA 2.036 64.170 62.300 -0.277 0.000 3.496 274 V CB -1.455 30.088 31.823 -0.467 0.000 0.788 274 V HN 0.618 nan 8.190 nan 0.000 0.820 275 H N 1.044 120.110 119.070 -0.006 0.000 2.615 275 H HA 0.379 4.950 4.556 0.024 0.000 0.363 275 H C 0.307 175.548 175.328 -0.144 0.000 1.148 275 H CA 0.687 56.632 56.048 -0.172 0.000 1.401 275 H CB 0.574 30.060 29.762 -0.461 0.000 1.461 275 H HN 0.512 nan 8.280 nan 0.000 0.588 276 T N 3.762 118.272 114.554 -0.074 0.000 2.814 276 T HA 0.210 4.574 4.350 0.024 0.000 0.297 276 T C 0.271 174.886 174.700 -0.142 0.000 0.956 276 T CA 0.083 62.133 62.100 -0.083 0.000 1.123 276 T CB -0.186 68.588 68.868 -0.158 0.000 0.902 276 T HN 0.242 nan 8.240 nan 0.000 0.528 277 F N 1.265 121.166 119.950 -0.082 0.000 2.629 277 F HA 0.649 5.191 4.527 0.024 0.000 0.386 277 F C 1.068 176.830 175.800 -0.064 0.000 1.135 277 F CA -1.342 56.640 58.000 -0.030 0.000 1.116 277 F CB 1.320 40.279 39.000 -0.067 0.000 1.426 277 F HN 0.183 nan 8.300 nan 0.000 0.501 278 R N 0.556 121.124 120.500 0.114 0.000 2.740 278 R HA 0.646 5.000 4.340 0.024 0.000 0.282 278 R C -1.608 174.583 176.300 -0.183 0.000 0.969 278 R CA -0.868 55.156 56.100 -0.126 0.000 0.918 278 R CB 1.928 32.083 30.300 -0.243 0.000 1.175 278 R HN 0.423 nan 8.270 nan 0.000 0.464 279 L N 3.533 124.598 121.223 -0.263 0.000 2.322 279 L HA 0.552 4.907 4.340 0.024 0.000 0.279 279 L C -0.401 176.313 176.870 -0.260 0.000 1.036 279 L CA -0.906 53.787 54.840 -0.245 0.000 0.807 279 L CB 1.241 43.162 42.059 -0.230 0.000 1.226 279 L HN 0.354 nan 8.230 nan 0.000 0.433 280 I N 2.498 122.940 120.570 -0.213 0.000 2.466 280 I HA 0.290 4.475 4.170 0.024 0.000 0.289 280 I C -0.375 175.659 176.117 -0.139 0.000 1.026 280 I CA -0.660 60.519 61.300 -0.200 0.000 1.078 280 I CB 1.550 39.440 38.000 -0.184 0.000 1.249 280 I HN 0.647 nan 8.210 nan 0.000 0.429 281 N N 4.705 123.336 118.700 -0.115 0.000 2.491 281 N HA 0.397 5.151 4.740 0.024 0.000 0.279 281 N C 0.710 176.182 175.510 -0.063 0.000 1.236 281 N CA -0.399 52.603 53.050 -0.081 0.000 0.982 281 N CB 0.825 39.271 38.487 -0.068 0.000 1.194 281 N HN 0.540 nan 8.380 nan 0.000 0.582 282 A N -0.632 122.159 122.820 -0.049 0.000 2.121 282 A HA -0.049 4.285 4.320 0.024 0.000 0.218 282 A C 1.313 178.878 177.584 -0.032 0.000 1.154 282 A CA 1.031 53.044 52.037 -0.039 0.000 0.679 282 A CB -0.647 18.335 19.000 -0.030 0.000 0.795 282 A HN 0.736 nan 8.150 nan 0.000 0.458 283 E N -1.282 118.900 120.200 -0.030 0.000 2.502 283 E HA 0.278 4.643 4.350 0.024 0.000 0.194 283 E C 1.258 177.849 176.600 -0.016 0.000 1.062 283 E CA 0.743 57.130 56.400 -0.021 0.000 0.867 283 E CB -0.099 29.589 29.700 -0.019 0.000 0.888 283 E HN 0.700 nan 8.360 nan 0.000 0.510 284 G N 1.203 109.992 108.800 -0.020 0.000 2.157 284 G HA2 -0.365 3.610 3.960 0.024 0.000 0.248 284 G HA3 -0.365 3.610 3.960 0.024 0.000 0.248 284 G C 0.285 175.204 174.900 0.033 0.000 0.979 284 G CA 0.298 45.404 45.100 0.011 0.000 0.650 284 G HN 0.276 nan 8.290 nan 0.000 0.529 285 K N 0.808 121.192 120.400 -0.027 0.000 2.368 285 K HA 0.630 4.964 4.320 0.024 0.000 0.282 285 K C 0.618 177.099 176.600 -0.198 0.000 1.035 285 K CA 0.237 56.483 56.287 -0.069 0.000 0.973 285 K CB 0.471 32.929 32.500 -0.070 0.000 0.957 285 K HN 0.599 nan 8.250 nan 0.000 0.474 286 A N 3.483 126.082 122.820 -0.367 0.000 2.301 286 A HA 0.411 4.746 4.320 0.024 0.000 0.312 286 A C -0.755 176.517 177.584 -0.519 0.000 1.182 286 A CA -0.519 51.127 52.037 -0.652 0.000 0.826 286 A CB 1.133 19.322 19.000 -1.352 0.000 1.134 286 A HN 0.725 nan 8.150 nan 0.000 0.501 287 T N 2.439 116.724 114.554 -0.448 0.000 2.824 287 T HA 0.533 4.897 4.350 0.024 0.000 0.282 287 T C -0.564 173.911 174.700 -0.375 0.000 0.993 287 T CA -0.088 61.798 62.100 -0.355 0.000 0.967 287 T CB 0.421 69.178 68.868 -0.184 0.000 0.960 287 T HN 0.341 nan 8.240 nan 0.000 0.441 288 F N 2.074 121.931 119.950 -0.155 0.000 2.518 288 F HA 0.486 5.027 4.527 0.024 0.000 0.359 288 F C 0.623 176.308 175.800 -0.191 0.000 1.118 288 F CA -0.362 57.540 58.000 -0.162 0.000 1.287 288 F CB 0.502 39.425 39.000 -0.128 0.000 1.132 288 F HN 0.190 nan 8.300 nan 0.000 0.587 289 V N 4.489 124.377 119.914 -0.044 0.000 2.925 289 V HA 0.622 4.757 4.120 0.024 0.000 0.311 289 V C -0.969 174.924 176.094 -0.336 0.000 1.104 289 V CA -0.804 61.321 62.300 -0.292 0.000 0.954 289 V CB 2.167 33.597 31.823 -0.655 0.000 1.022 289 V HN 0.777 nan 8.190 nan 0.000 0.427 290 R N 4.447 124.789 120.500 -0.264 0.000 2.599 290 R HA 0.553 4.907 4.340 0.024 0.000 0.295 290 R C -1.682 174.537 176.300 -0.134 0.000 0.963 290 R CA -0.485 55.487 56.100 -0.213 0.000 0.883 290 R CB 2.069 32.371 30.300 0.004 0.000 1.171 290 R HN 0.596 nan 8.270 nan 0.000 0.450 291 F N 2.242 122.242 119.950 0.082 0.000 2.394 291 F HA 0.357 4.898 4.527 0.024 0.000 0.340 291 F C 0.948 176.690 175.800 -0.096 0.000 1.105 291 F CA -0.077 57.935 58.000 0.021 0.000 1.124 291 F CB 0.844 39.740 39.000 -0.174 0.000 1.145 291 F HN 0.196 nan 8.300 nan 0.000 0.505 292 H N 1.126 120.197 119.070 0.003 0.000 2.768 292 H HA 0.244 4.814 4.556 0.024 0.000 0.371 292 H C -1.502 173.587 175.328 -0.398 0.000 1.151 292 H CA -0.961 54.967 56.048 -0.200 0.000 1.165 292 H CB 1.902 31.643 29.762 -0.035 0.000 1.722 292 H HN 0.670 nan 8.280 nan 0.000 0.543 293 W N 2.408 123.577 121.300 -0.219 0.000 2.532 293 W HA 0.318 4.993 4.660 0.024 0.000 0.321 293 W C -0.029 176.511 176.519 0.036 0.000 1.037 293 W CA -0.774 56.517 57.345 -0.090 0.000 1.220 293 W CB 1.691 30.928 29.460 -0.372 0.000 1.361 293 W HN 0.293 nan 8.180 nan 0.000 0.468 294 K N 5.745 126.414 120.400 0.449 0.000 2.213 294 K HA 0.389 4.724 4.320 0.024 0.000 0.270 294 K C -2.389 174.437 176.600 0.377 0.000 1.002 294 K CA -1.841 54.646 56.287 0.334 0.000 0.868 294 K CB 1.401 34.048 32.500 0.245 0.000 1.093 294 K HN 0.056 nan 8.250 nan 0.000 0.454 295 P HA 0.077 nan 4.420 nan 0.000 0.282 295 P C 0.343 177.647 177.300 0.005 0.000 1.274 295 P CA -0.193 62.965 63.100 0.096 0.000 0.770 295 P CB 0.878 32.652 31.700 0.124 0.000 0.867 296 L N 2.831 124.001 121.223 -0.089 0.000 2.362 296 L HA -0.090 4.264 4.340 0.024 0.000 0.219 296 L C 2.268 179.113 176.870 -0.042 0.000 1.134 296 L CA 1.181 56.002 54.840 -0.031 0.000 0.807 296 L CB -0.670 41.380 42.059 -0.014 0.000 0.927 296 L HN 0.348 nan 8.230 nan 0.000 0.447 297 A N 0.032 122.801 122.820 -0.085 0.000 2.206 297 A HA 0.383 4.718 4.320 0.024 0.000 0.211 297 A C 1.287 178.866 177.584 -0.008 0.000 1.158 297 A CA 0.736 52.742 52.037 -0.051 0.000 0.761 297 A CB -0.420 18.532 19.000 -0.080 0.000 0.801 297 A HN 0.467 nan 8.150 nan 0.000 0.473 298 G N -0.793 108.014 108.800 0.013 0.000 2.712 298 G HA2 -0.116 3.858 3.960 0.024 0.000 0.683 298 G HA3 -0.116 3.858 3.960 0.024 0.000 0.683 298 G C -0.665 174.261 174.900 0.043 0.000 1.320 298 G CA -0.401 44.724 45.100 0.043 0.000 0.847 298 G HN 0.470 nan 8.290 nan 0.000 0.553 299 K N 0.052 120.482 120.400 0.050 0.000 2.156 299 K HA 0.750 5.085 4.320 0.024 0.000 0.271 299 K C 0.202 176.792 176.600 -0.015 0.000 0.995 299 K CA 0.140 56.442 56.287 0.025 0.000 0.890 299 K CB 1.867 34.368 32.500 0.002 0.000 1.073 299 K HN 1.486 nan 8.250 nan 0.000 0.454 300 A N 1.567 124.370 122.820 -0.028 0.000 2.566 300 A HA 0.602 4.937 4.320 0.024 0.000 0.297 300 A C -1.158 176.476 177.584 0.085 0.000 1.059 300 A CA -0.661 51.316 52.037 -0.101 0.000 0.691 300 A CB 1.746 20.506 19.000 -0.401 0.000 1.282 300 A HN 0.512 nan 8.150 nan 0.000 0.401 301 S N 0.367 116.284 115.700 0.361 0.000 2.667 301 S HA 0.762 5.247 4.470 0.024 0.000 0.292 301 S C -0.158 174.767 174.600 0.541 0.000 1.126 301 S CA -0.600 57.845 58.200 0.409 0.000 0.881 301 S CB 1.189 64.618 63.200 0.382 0.000 1.132 301 S HN 0.652 nan 8.310 nan 0.000 0.492 302 L N 1.325 122.754 121.223 0.343 0.000 2.490 302 L HA 0.546 4.900 4.340 0.024 0.000 0.245 302 L C 0.038 177.024 176.870 0.193 0.000 1.185 302 L CA -0.778 54.187 54.840 0.207 0.000 0.813 302 L CB 0.212 42.304 42.059 0.054 0.000 1.233 302 L HN 0.487 nan 8.230 nan 0.000 0.489 303 V N -3.069 116.855 119.914 0.017 0.000 2.850 303 V HA 0.180 4.315 4.120 0.024 0.000 0.315 303 V C 0.676 176.709 176.094 -0.101 0.000 1.064 303 V CA -0.771 61.502 62.300 -0.046 0.000 0.979 303 V CB 1.599 33.364 31.823 -0.097 0.000 1.039 303 V HN 0.944 nan 8.190 nan 0.000 0.452 304 W N 1.788 122.950 121.300 -0.231 0.000 2.333 304 W HA -0.217 4.457 4.660 0.024 0.000 0.316 304 W C 1.833 178.190 176.519 -0.269 0.000 1.215 304 W CA 2.484 59.689 57.345 -0.232 0.000 1.278 304 W CB -0.080 29.231 29.460 -0.248 0.000 1.154 304 W HN 0.995 nan 8.180 nan 0.000 0.486 305 D N 0.237 120.358 120.400 -0.465 0.000 2.149 305 D HA -0.294 4.360 4.640 0.024 0.000 0.198 305 D C 2.138 178.074 176.300 -0.606 0.000 0.990 305 D CA 2.098 55.779 54.000 -0.532 0.000 0.839 305 D CB -0.462 40.278 40.800 -0.100 0.000 0.948 305 D HN 0.369 nan 8.370 nan 0.000 0.460 306 E N -0.309 119.394 120.200 -0.829 0.000 2.031 306 E HA -0.212 4.152 4.350 0.024 0.000 0.193 306 E C 2.061 178.308 176.600 -0.588 0.000 0.994 306 E CA 1.071 56.935 56.400 -0.893 0.000 0.800 306 E CB -0.259 28.788 29.700 -1.089 0.000 0.752 306 E HN 0.306 nan 8.360 nan 0.000 0.447 307 A N 1.191 123.693 122.820 -0.530 0.000 1.908 307 A HA -0.282 4.052 4.320 0.024 0.000 0.218 307 A C 2.180 179.420 177.584 -0.573 0.000 1.181 307 A CA 1.958 53.725 52.037 -0.450 0.000 0.627 307 A CB -0.719 18.130 19.000 -0.252 0.000 0.818 307 A HN 0.476 nan 8.150 nan 0.000 0.445 308 Q N -0.713 118.535 119.800 -0.921 0.000 2.083 308 Q HA -0.151 4.203 4.340 0.024 0.000 0.198 308 Q C 2.134 177.841 176.000 -0.488 0.000 0.969 308 Q CA 1.669 56.949 55.803 -0.872 0.000 0.838 308 Q CB -0.121 27.790 28.738 -1.378 0.000 0.900 308 Q HN 0.658 nan 8.270 nan 0.000 0.436 309 K N 0.035 120.170 120.400 -0.443 0.000 2.097 309 K HA -0.159 4.176 4.320 0.024 0.000 0.206 309 K C 2.016 178.472 176.600 -0.241 0.000 1.049 309 K CA 0.933 57.059 56.287 -0.270 0.000 0.933 309 K CB -0.080 32.304 32.500 -0.193 0.000 0.717 309 K HN 0.161 nan 8.250 nan 0.000 0.442 310 L N 1.003 122.040 121.223 -0.310 0.000 2.201 310 L HA -0.116 4.238 4.340 0.024 0.000 0.212 310 L C 2.050 178.782 176.870 -0.231 0.000 1.105 310 L CA 1.998 56.655 54.840 -0.305 0.000 0.775 310 L CB -0.759 41.026 42.059 -0.457 0.000 0.913 310 L HN 0.316 nan 8.230 nan 0.000 0.440 311 T N -4.285 110.136 114.554 -0.222 0.000 2.929 311 T HA -0.052 4.312 4.350 0.024 0.000 0.271 311 T C 1.817 176.452 174.700 -0.109 0.000 1.085 311 T CA 0.927 62.938 62.100 -0.148 0.000 1.125 311 T CB -0.918 67.876 68.868 -0.124 0.000 0.874 311 T HN 0.389 nan 8.240 nan 0.000 0.494 312 G N 1.013 109.742 108.800 -0.118 0.000 2.441 312 G HA2 0.017 3.991 3.960 0.024 0.000 0.212 312 G HA3 0.017 3.991 3.960 0.024 0.000 0.212 312 G C 1.923 176.781 174.900 -0.071 0.000 1.164 312 G CA -0.296 44.753 45.100 -0.084 0.000 0.811 312 G HN 0.297 nan 8.290 nan 0.000 0.535 313 R N 0.213 120.662 120.500 -0.085 0.000 2.090 313 R HA 0.049 4.403 4.340 0.024 0.000 0.228 313 R C -0.186 176.090 176.300 -0.040 0.000 1.110 313 R CA 0.831 56.895 56.100 -0.060 0.000 0.973 313 R CB -0.149 30.108 30.300 -0.073 0.000 0.869 313 R HN 0.329 nan 8.270 nan 0.000 0.440 314 D N -0.331 120.038 120.400 -0.052 0.000 2.337 314 D HA 0.136 4.790 4.640 0.024 0.000 0.238 314 D C -2.117 174.185 176.300 0.002 0.000 1.331 314 D CA -1.793 52.210 54.000 0.005 0.000 0.967 314 D CB 1.497 42.350 40.800 0.088 0.000 1.382 314 D HN -0.133 nan 8.370 nan 0.000 0.549 315 P HA 0.019 nan 4.420 nan 0.000 0.234 315 P C -0.008 177.297 177.300 0.009 0.000 1.167 315 P CA 0.549 63.638 63.100 -0.020 0.000 0.763 315 P CB 0.550 32.235 31.700 -0.025 0.000 0.835 316 D N -1.342 119.076 120.400 0.030 0.000 2.463 316 D HA 0.077 4.731 4.640 0.024 0.000 0.224 316 D C 1.191 177.531 176.300 0.066 0.000 1.174 316 D CA -0.454 53.568 54.000 0.037 0.000 0.829 316 D CB -0.521 40.279 40.800 -0.001 0.000 0.993 316 D HN 0.117 nan 8.370 nan 0.000 0.497 317 F N 1.263 121.158 119.950 -0.092 0.000 2.126 317 F HA -0.236 4.305 4.527 0.024 0.000 0.299 317 F C 2.050 177.836 175.800 -0.023 0.000 1.096 317 F CA 1.879 59.826 58.000 -0.089 0.000 1.255 317 F CB 0.053 38.948 39.000 -0.174 0.000 0.997 317 F HN 0.111 nan 8.300 nan 0.000 0.479 318 H N -1.195 117.802 119.070 -0.122 0.000 2.395 318 H HA -0.069 4.501 4.556 0.024 0.000 0.299 318 H C 2.349 177.573 175.328 -0.173 0.000 1.070 318 H CA 0.830 56.657 56.048 -0.369 0.000 1.356 318 H CB -0.091 29.269 29.762 -0.670 0.000 1.401 318 H HN 0.190 nan 8.280 nan 0.000 0.524 319 R N 1.280 121.873 120.500 0.154 0.000 2.092 319 R HA -0.108 4.247 4.340 0.024 0.000 0.231 319 R C 2.410 178.812 176.300 0.170 0.000 1.119 319 R CA 1.096 57.342 56.100 0.242 0.000 0.970 319 R CB 0.010 30.439 30.300 0.216 0.000 0.864 319 R HN 0.193 nan 8.270 nan 0.000 0.440 320 R N 0.372 120.892 120.500 0.033 0.000 2.075 320 R HA -0.130 4.225 4.340 0.024 0.000 0.232 320 R C 2.110 178.407 176.300 -0.005 0.000 1.126 320 R CA 1.605 57.707 56.100 0.004 0.000 0.963 320 R CB -0.189 30.074 30.300 -0.061 0.000 0.858 320 R HN 0.264 nan 8.270 nan 0.000 0.435 321 E N 0.606 120.699 120.200 -0.180 0.000 2.106 321 E HA -0.196 4.168 4.350 0.024 0.000 0.192 321 E C 2.012 178.587 176.600 -0.042 0.000 0.984 321 E CA 1.009 57.279 56.400 -0.217 0.000 0.806 321 E CB -0.030 29.383 29.700 -0.478 0.000 0.750 321 E HN 0.249 nan 8.360 nan 0.000 0.458 322 L N 0.878 122.119 121.223 0.029 0.000 2.017 322 L HA -0.156 4.198 4.340 0.024 0.000 0.208 322 L C 2.219 179.195 176.870 0.177 0.000 1.073 322 L CA 1.829 56.738 54.840 0.114 0.000 0.745 322 L CB -0.936 41.249 42.059 0.210 0.000 0.894 322 L HN 0.319 nan 8.230 nan 0.000 0.432 323 W N 0.889 122.227 121.300 0.064 0.000 2.338 323 W HA -0.210 4.464 4.660 0.024 0.000 0.304 323 W C 2.169 178.722 176.519 0.058 0.000 1.212 323 W CA 2.177 59.570 57.345 0.081 0.000 1.264 323 W CB -0.060 29.449 29.460 0.082 0.000 1.142 323 W HN 0.372 nan 8.180 nan 0.000 0.512 324 E N -0.242 120.133 120.200 0.291 0.000 2.158 324 E HA -0.085 4.279 4.350 0.024 0.000 0.191 324 E C 2.346 178.984 176.600 0.064 0.000 0.982 324 E CA 0.865 57.363 56.400 0.163 0.000 0.823 324 E CB -0.282 29.465 29.700 0.078 0.000 0.766 324 E HN 0.160 nan 8.360 nan 0.000 0.468 325 A N 1.325 124.180 122.820 0.060 0.000 1.898 325 A HA -0.152 4.182 4.320 0.024 0.000 0.216 325 A C 2.149 179.776 177.584 0.072 0.000 1.181 325 A CA 0.951 53.019 52.037 0.051 0.000 0.620 325 A CB -0.501 18.528 19.000 0.049 0.000 0.819 325 A HN 0.119 nan 8.150 nan 0.000 0.442 326 I N -0.411 120.220 120.570 0.100 0.000 2.226 326 I HA -0.237 3.948 4.170 0.024 0.000 0.245 326 I C 2.409 178.616 176.117 0.150 0.000 1.100 326 I CA 1.438 62.850 61.300 0.188 0.000 1.374 326 I CB -0.362 37.665 38.000 0.045 0.000 1.057 326 I HN 0.410 nan 8.210 nan 0.000 0.413 327 E N 0.691 120.922 120.200 0.051 0.000 2.268 327 E HA -0.143 4.221 4.350 0.024 0.000 0.195 327 E C 2.105 178.732 176.600 0.044 0.000 0.995 327 E CA 1.037 57.475 56.400 0.064 0.000 0.836 327 E CB -0.029 29.734 29.700 0.107 0.000 0.763 327 E HN 0.498 nan 8.360 nan 0.000 0.491 328 A N 0.118 122.942 122.820 0.007 0.000 2.169 328 A HA 0.217 4.552 4.320 0.024 0.000 0.212 328 A C 1.772 179.295 177.584 -0.101 0.000 1.153 328 A CA 0.911 52.929 52.037 -0.032 0.000 0.756 328 A CB -0.078 18.896 19.000 -0.043 0.000 0.813 328 A HN 0.318 nan 8.150 nan 0.000 0.471 329 G N -0.372 108.295 108.800 -0.222 0.000 2.157 329 G HA2 -0.203 3.771 3.960 0.024 0.000 0.248 329 G HA3 -0.203 3.771 3.960 0.024 0.000 0.248 329 G C -0.224 174.191 174.900 -0.808 0.000 0.979 329 G CA 0.256 44.896 45.100 -0.765 0.000 0.650 329 G HN 0.443 nan 8.290 nan 0.000 0.529 330 D N 0.933 121.126 120.400 -0.345 0.000 2.845 330 D HA 0.280 4.935 4.640 0.024 0.000 0.235 330 D C 0.835 177.099 176.300 -0.061 0.000 1.158 330 D CA -0.126 53.771 54.000 -0.171 0.000 0.990 330 D CB -0.665 40.131 40.800 -0.006 0.000 1.094 330 D HN 0.444 nan 8.370 nan 0.000 0.486 331 F N 1.304 121.255 119.950 0.003 0.000 2.572 331 F HA 0.093 4.634 4.527 0.024 0.000 0.370 331 F C -1.375 174.397 175.800 -0.046 0.000 1.103 331 F CA -1.906 56.087 58.000 -0.011 0.000 1.286 331 F CB 0.107 39.109 39.000 0.004 0.000 1.105 331 F HN -0.099 nan 8.300 nan 0.000 0.583 332 P HA 0.068 nan 4.420 nan 0.000 0.267 332 P C -1.116 176.133 177.300 -0.085 0.000 1.209 332 P CA 0.250 63.340 63.100 -0.017 0.000 0.763 332 P CB 0.532 32.312 31.700 0.134 0.000 0.816 333 E N 2.291 122.304 120.200 -0.313 0.000 2.238 333 E HA 0.493 4.858 4.350 0.024 0.000 0.267 333 E C -1.085 175.219 176.600 -0.493 0.000 0.887 333 E CA -0.561 55.707 56.400 -0.219 0.000 0.769 333 E CB 1.545 31.201 29.700 -0.073 0.000 1.187 333 E HN 0.373 nan 8.360 nan 0.000 0.416 334 Y N 0.217 120.585 120.300 0.113 0.000 2.504 334 Y HA 0.223 4.788 4.550 0.024 0.000 0.344 334 Y C -0.360 175.772 175.900 0.387 0.000 1.023 334 Y CA -0.940 57.301 58.100 0.235 0.000 1.020 334 Y CB 2.059 40.619 38.460 0.166 0.000 1.282 334 Y HN 0.458 nan 8.280 nan 0.000 0.454 335 E N 2.745 123.275 120.200 0.549 0.000 2.146 335 E HA 0.391 4.756 4.350 0.024 0.000 0.282 335 E C -1.454 175.448 176.600 0.504 0.000 0.989 335 E CA -0.915 55.773 56.400 0.480 0.000 0.799 335 E CB 1.012 30.926 29.700 0.356 0.000 1.088 335 E HN 0.586 nan 8.360 nan 0.000 0.397 336 L N 4.279 125.727 121.223 0.374 0.000 2.380 336 L HA 0.505 4.859 4.340 0.024 0.000 0.273 336 L C -0.053 176.768 176.870 -0.081 0.000 1.138 336 L CA 0.641 55.398 54.840 -0.138 0.000 0.832 336 L CB 1.077 43.017 42.059 -0.199 0.000 1.124 336 L HN 0.587 nan 8.230 nan 0.000 0.454 337 G N 4.256 113.010 108.800 -0.077 0.000 2.659 337 G HA2 0.549 4.523 3.960 0.024 0.000 0.296 337 G HA3 0.549 4.523 3.960 0.024 0.000 0.296 337 G C -1.650 173.382 174.900 0.219 0.000 1.369 337 G CA -0.520 44.566 45.100 -0.023 0.000 0.937 337 G HN 0.461 nan 8.290 nan 0.000 0.485 338 F N 0.120 120.090 119.950 0.033 0.000 2.520 338 F HA 0.410 4.952 4.527 0.024 0.000 0.322 338 F C 0.348 176.141 175.800 -0.011 0.000 1.103 338 F CA -0.959 57.063 58.000 0.037 0.000 0.926 338 F CB 2.651 41.661 39.000 0.016 0.000 1.154 338 F HN 0.119 nan 8.300 nan 0.000 0.453 339 Q N 4.208 124.128 119.800 0.200 0.000 2.331 339 Q HA 0.487 4.842 4.340 0.024 0.000 0.257 339 Q C -1.106 174.937 176.000 0.073 0.000 0.957 339 Q CA -0.493 55.369 55.803 0.098 0.000 0.923 339 Q CB 2.124 30.923 28.738 0.103 0.000 1.212 339 Q HN 0.527 nan 8.270 nan 0.000 0.443 340 L N 4.353 125.627 121.223 0.085 0.000 2.322 340 L HA 0.609 4.963 4.340 0.024 0.000 0.281 340 L C -0.537 176.390 176.870 0.094 0.000 1.014 340 L CA -0.586 54.295 54.840 0.068 0.000 0.815 340 L CB 1.348 43.455 42.059 0.081 0.000 1.247 340 L HN 0.507 nan 8.230 nan 0.000 0.421 341 I N 4.300 124.943 120.570 0.122 0.000 2.499 341 I HA 0.364 4.548 4.170 0.024 0.000 0.288 341 I C -2.294 173.943 176.117 0.201 0.000 1.048 341 I CA -2.003 59.413 61.300 0.193 0.000 1.062 341 I CB 2.644 40.778 38.000 0.223 0.000 1.238 341 I HN 0.313 nan 8.210 nan 0.000 0.426 342 P HA 0.058 nan 4.420 nan 0.000 0.272 342 P C 0.481 177.847 177.300 0.110 0.000 1.230 342 P CA -0.107 63.030 63.100 0.061 0.000 0.788 342 P CB 0.885 32.614 31.700 0.049 0.000 0.949 343 E N 0.942 121.115 120.200 -0.046 0.000 2.118 343 E HA -0.250 4.114 4.350 0.024 0.000 0.195 343 E C 0.944 177.630 176.600 0.144 0.000 0.992 343 E CA 1.369 57.742 56.400 -0.044 0.000 0.804 343 E CB -0.051 29.535 29.700 -0.190 0.000 0.741 343 E HN 0.408 nan 8.360 nan 0.000 0.458 344 E N 0.535 120.792 120.200 0.095 0.000 2.409 344 E HA -0.131 4.233 4.350 0.024 0.000 0.198 344 E C 0.566 177.233 176.600 0.112 0.000 1.024 344 E CA 1.027 57.490 56.400 0.105 0.000 0.861 344 E CB 0.098 29.838 29.700 0.067 0.000 0.788 344 E HN 0.251 nan 8.360 nan 0.000 0.521 345 D N -0.277 120.197 120.400 0.123 0.000 2.402 345 D HA 0.003 4.657 4.640 0.024 0.000 0.216 345 D C 1.112 177.457 176.300 0.076 0.000 1.128 345 D CA 0.007 54.057 54.000 0.082 0.000 0.833 345 D CB 0.097 40.960 40.800 0.104 0.000 0.971 345 D HN 0.234 nan 8.370 nan 0.000 0.503 346 E N -0.178 120.027 120.200 0.008 0.000 2.130 346 E HA -0.193 4.171 4.350 0.024 0.000 0.196 346 E C 0.419 176.719 176.600 -0.499 0.000 0.998 346 E CA 1.134 57.311 56.400 -0.372 0.000 0.806 346 E CB 0.026 29.302 29.700 -0.706 0.000 0.738 346 E HN 0.271 nan 8.360 nan 0.000 0.459 347 F N -0.506 119.458 119.950 0.023 0.000 2.647 347 F HA 0.277 4.819 4.527 0.024 0.000 0.300 347 F C 1.172 176.908 175.800 -0.107 0.000 1.106 347 F CA -0.310 57.674 58.000 -0.026 0.000 1.313 347 F CB 0.656 39.647 39.000 -0.015 0.000 1.007 347 F HN -0.187 nan 8.300 nan 0.000 0.536 348 K N 0.078 120.408 120.400 -0.117 0.000 2.404 348 K HA 0.153 4.488 4.320 0.024 0.000 0.194 348 K C -0.366 175.802 176.600 -0.720 0.000 1.023 348 K CA 0.273 56.312 56.287 -0.413 0.000 1.094 348 K CB 0.236 32.417 32.500 -0.532 0.000 0.841 348 K HN 0.141 nan 8.250 nan 0.000 0.523 349 F N -0.033 119.758 119.950 -0.265 0.000 2.541 349 F HA 0.171 4.713 4.527 0.024 0.000 0.331 349 F C 1.186 176.759 175.800 -0.378 0.000 1.057 349 F CA -1.059 56.667 58.000 -0.456 0.000 0.975 349 F CB 0.960 39.302 39.000 -1.097 0.000 1.246 349 F HN -0.193 nan 8.300 nan 0.000 0.484 350 D N 0.609 120.976 120.400 -0.055 0.000 2.350 350 D HA -0.036 4.618 4.640 0.024 0.000 0.216 350 D C -0.175 176.188 176.300 0.105 0.000 0.968 350 D CA 1.128 55.170 54.000 0.070 0.000 0.894 350 D CB -0.235 40.693 40.800 0.213 0.000 0.909 350 D HN 0.252 nan 8.370 nan 0.000 0.520 351 F N -1.046 118.988 119.950 0.140 0.000 2.598 351 F HA 0.491 5.033 4.527 0.024 0.000 0.327 351 F C -0.070 175.718 175.800 -0.019 0.000 1.057 351 F CA -1.657 56.343 58.000 0.000 0.000 0.957 351 F CB 0.857 39.814 39.000 -0.073 0.000 1.278 351 F HN -0.406 nan 8.300 nan 0.000 0.484 352 D N 1.511 121.928 120.400 0.028 0.000 2.264 352 D HA 0.214 4.868 4.640 0.024 0.000 0.250 352 D C 0.977 177.232 176.300 -0.075 0.000 1.113 352 D CA -0.150 53.820 54.000 -0.050 0.000 0.871 352 D CB 1.541 42.331 40.800 -0.018 0.000 1.167 352 D HN 0.753 nan 8.370 nan 0.000 0.447 353 L N 3.252 124.366 121.223 -0.182 0.000 2.265 353 L HA -0.120 4.234 4.340 0.024 0.000 0.215 353 L C 1.925 178.665 176.870 -0.216 0.000 1.117 353 L CA 0.661 55.361 54.840 -0.233 0.000 0.782 353 L CB -0.132 41.630 42.059 -0.494 0.000 0.914 353 L HN 0.427 nan 8.230 nan 0.000 0.441 354 L N -0.940 120.185 121.223 -0.164 0.000 2.592 354 L HA 0.089 4.444 4.340 0.024 0.000 0.227 354 L C 0.349 177.173 176.870 -0.077 0.000 1.127 354 L CA -0.129 54.684 54.840 -0.046 0.000 0.884 354 L CB -0.215 41.926 42.059 0.136 0.000 1.065 354 L HN 0.093 nan 8.230 nan 0.000 0.457 355 D N 1.557 121.697 120.400 -0.433 0.000 2.317 355 D HA 0.151 4.805 4.640 0.024 0.000 0.234 355 D C -1.699 174.396 176.300 -0.342 0.000 1.112 355 D CA -2.310 51.202 54.000 -0.813 0.000 0.840 355 D CB 1.772 41.819 40.800 -1.256 0.000 1.078 355 D HN -0.112 nan 8.370 nan 0.000 0.486 356 P HA -0.015 nan 4.420 nan 0.000 0.245 356 P C 0.835 178.040 177.300 -0.159 0.000 1.212 356 P CA 0.506 63.539 63.100 -0.112 0.000 0.774 356 P CB -0.074 31.645 31.700 0.033 0.000 0.999 357 T N -4.346 110.105 114.554 -0.171 0.000 3.107 357 T HA 0.151 4.515 4.350 0.024 0.000 0.249 357 T C 0.724 175.336 174.700 -0.148 0.000 1.096 357 T CA -0.059 61.949 62.100 -0.153 0.000 1.012 357 T CB -0.207 68.615 68.868 -0.077 0.000 0.977 357 T HN -0.144 nan 8.240 nan 0.000 0.527 358 K N 1.990 122.208 120.400 -0.304 0.000 2.221 358 K HA 0.583 4.917 4.320 0.024 0.000 0.258 358 K C -0.315 176.095 176.600 -0.317 0.000 0.944 358 K CA -0.862 55.119 56.287 -0.510 0.000 0.823 358 K CB 2.190 34.264 32.500 -0.710 0.000 1.113 358 K HN 0.293 nan 8.250 nan 0.000 0.431 359 L N -0.496 120.677 121.223 -0.083 0.000 2.400 359 L HA 0.658 5.012 4.340 0.024 0.000 0.264 359 L C -0.025 176.635 176.870 -0.350 0.000 1.061 359 L CA -0.518 54.214 54.840 -0.179 0.000 0.799 359 L CB 0.337 42.368 42.059 -0.046 0.000 1.240 359 L HN 0.442 nan 8.230 nan 0.000 0.461 360 I N 1.420 121.881 120.570 -0.181 0.000 2.328 360 I HA 0.374 4.559 4.170 0.024 0.000 0.287 360 I C -2.145 173.983 176.117 0.018 0.000 1.012 360 I CA -1.713 59.532 61.300 -0.092 0.000 1.195 360 I CB 1.249 39.225 38.000 -0.040 0.000 1.350 360 I HN 0.447 nan 8.210 nan 0.000 0.464 361 P HA 0.049 nan 4.420 nan 0.000 0.268 361 P C 0.273 177.641 177.300 0.114 0.000 1.204 361 P CA 0.039 63.188 63.100 0.081 0.000 0.768 361 P CB 0.611 32.355 31.700 0.075 0.000 0.842 362 E N 1.658 121.932 120.200 0.123 0.000 2.268 362 E HA -0.181 4.184 4.350 0.024 0.000 0.195 362 E C 1.352 178.007 176.600 0.092 0.000 0.995 362 E CA 0.701 57.162 56.400 0.102 0.000 0.836 362 E CB -0.002 29.758 29.700 0.100 0.000 0.763 362 E HN 0.502 nan 8.360 nan 0.000 0.491 363 E N 0.441 120.697 120.200 0.093 0.000 2.204 363 E HA -0.140 4.225 4.350 0.024 0.000 0.195 363 E C 2.055 178.720 176.600 0.108 0.000 0.990 363 E CA 0.740 57.191 56.400 0.086 0.000 0.821 363 E CB 0.064 29.809 29.700 0.074 0.000 0.750 363 E HN 0.372 nan 8.360 nan 0.000 0.477 364 L N -0.363 120.948 121.223 0.147 0.000 2.168 364 L HA 0.034 4.388 4.340 0.024 0.000 0.203 364 L C 0.715 177.709 176.870 0.207 0.000 1.078 364 L CA 0.500 55.466 54.840 0.209 0.000 0.780 364 L CB 0.319 42.581 42.059 0.338 0.000 0.939 364 L HN -0.199 nan 8.230 nan 0.000 0.451 365 V N 0.572 120.585 119.914 0.165 0.000 2.419 365 V HA 0.330 4.464 4.120 0.024 0.000 0.287 365 V C -2.443 173.700 176.094 0.082 0.000 1.017 365 V CA -1.381 61.000 62.300 0.136 0.000 0.844 365 V CB 1.605 33.499 31.823 0.118 0.000 1.011 365 V HN -0.050 nan 8.190 nan 0.000 0.429 366 P HA 0.199 nan 4.420 nan 0.000 0.274 366 P C -0.402 176.898 177.300 0.000 0.000 1.231 366 P CA -0.167 62.954 63.100 0.035 0.000 0.790 366 P CB 0.788 32.513 31.700 0.041 0.000 0.951 367 V N 3.624 123.505 119.914 -0.056 0.000 2.455 367 V HA 0.054 4.188 4.120 0.024 0.000 0.273 367 V C 0.565 176.648 176.094 -0.019 0.000 1.045 367 V CA 0.160 62.395 62.300 -0.109 0.000 0.976 367 V CB -0.009 31.662 31.823 -0.253 0.000 0.993 367 V HN 0.477 nan 8.190 nan 0.000 0.475 368 Q N 4.810 124.620 119.800 0.017 0.000 2.274 368 Q HA 0.390 4.744 4.340 0.024 0.000 0.256 368 Q C -0.191 175.804 176.000 -0.007 0.000 0.927 368 Q CA -0.521 55.294 55.803 0.021 0.000 0.939 368 Q CB 1.503 30.267 28.738 0.043 0.000 1.201 368 Q HN 0.615 nan 8.270 nan 0.000 0.426 369 R N 1.340 121.858 120.500 0.031 0.000 2.537 369 R HA 0.064 4.418 4.340 0.024 0.000 0.280 369 R C 0.353 176.689 176.300 0.061 0.000 1.058 369 R CA -0.086 56.074 56.100 0.100 0.000 1.057 369 R CB 0.572 30.991 30.300 0.199 0.000 0.973 369 R HN 0.438 nan 8.270 nan 0.000 0.438 370 V N 1.019 120.892 119.914 -0.068 0.000 3.250 370 V HA 0.313 4.448 4.120 0.024 0.000 0.240 370 V C 0.704 176.560 176.094 -0.396 0.000 1.275 370 V CA 0.942 63.086 62.300 -0.260 0.000 1.206 370 V CB 1.093 32.481 31.823 -0.723 0.000 0.976 370 V HN 1.019 nan 8.190 nan 0.000 0.467 371 G N -0.216 108.236 108.800 -0.580 0.000 2.441 371 G HA2 0.500 4.475 3.960 0.024 0.000 0.294 371 G HA3 0.500 4.475 3.960 0.024 0.000 0.294 371 G C -1.891 172.664 174.900 -0.576 0.000 1.393 371 G CA -0.541 43.914 45.100 -1.075 0.000 0.796 371 G HN 0.049 nan 8.290 nan 0.000 0.494 372 K N -0.347 119.723 120.400 -0.549 0.000 2.378 372 K HA 0.721 5.055 4.320 0.024 0.000 0.252 372 K C -0.839 175.797 176.600 0.060 0.000 0.931 372 K CA -0.783 55.488 56.287 -0.026 0.000 0.794 372 K CB 2.067 34.598 32.500 0.052 0.000 1.181 372 K HN 0.584 nan 8.250 nan 0.000 0.425 373 M N 4.608 124.389 119.600 0.302 0.000 2.364 373 M HA 0.413 4.907 4.480 0.024 0.000 0.334 373 M C -1.676 174.603 176.300 -0.034 0.000 1.107 373 M CA -0.767 54.636 55.300 0.170 0.000 0.988 373 M CB 1.658 34.392 32.600 0.224 0.000 1.673 373 M HN 0.360 nan 8.290 nan 0.000 0.441 374 V N 6.277 126.004 119.914 -0.312 0.000 2.487 374 V HA 0.457 4.592 4.120 0.024 0.000 0.298 374 V C -0.628 175.318 176.094 -0.247 0.000 1.028 374 V CA -0.712 61.415 62.300 -0.288 0.000 0.860 374 V CB 1.801 33.327 31.823 -0.495 0.000 0.991 374 V HN 0.800 nan 8.190 nan 0.000 0.427 375 L N 5.469 126.632 121.223 -0.099 0.000 2.265 375 L HA 0.532 4.887 4.340 0.024 0.000 0.289 375 L C 0.300 177.037 176.870 -0.222 0.000 1.033 375 L CA -0.326 54.448 54.840 -0.109 0.000 0.814 375 L CB 1.293 43.341 42.059 -0.018 0.000 1.203 375 L HN 0.875 nan 8.230 nan 0.000 0.423 376 N N 2.419 120.901 118.700 -0.363 0.000 2.240 376 N HA 0.150 4.904 4.740 0.024 0.000 0.240 376 N C -0.134 175.128 175.510 -0.413 0.000 1.277 376 N CA -0.436 52.090 53.050 -0.872 0.000 0.873 376 N CB 0.754 38.433 38.487 -1.346 0.000 1.222 376 N HN 0.476 nan 8.380 nan 0.000 0.507 377 R N 0.209 120.606 120.500 -0.173 0.000 2.535 377 R HA 0.327 4.681 4.340 0.024 0.000 0.274 377 R C -1.294 174.947 176.300 -0.097 0.000 1.090 377 R CA -0.543 55.490 56.100 -0.112 0.000 0.930 377 R CB 1.267 31.516 30.300 -0.085 0.000 1.223 377 R HN 0.043 nan 8.270 nan 0.000 0.441 378 N N 3.124 121.649 118.700 -0.290 0.000 2.483 378 N HA 0.304 5.058 4.740 0.024 0.000 0.269 378 N C -2.325 173.112 175.510 -0.121 0.000 1.209 378 N CA -1.299 51.447 53.050 -0.507 0.000 0.969 378 N CB 0.653 38.172 38.487 -1.613 0.000 1.173 378 N HN 0.321 nan 8.380 nan 0.000 0.475 379 P HA 0.106 nan 4.420 nan 0.000 0.274 379 P C 0.248 177.739 177.300 0.319 0.000 1.260 379 P CA -0.094 63.205 63.100 0.331 0.000 0.793 379 P CB 0.906 32.844 31.700 0.397 0.000 1.048 380 D N -1.178 119.386 120.400 0.273 0.000 2.201 380 D HA -0.015 4.640 4.640 0.024 0.000 0.209 380 D C 0.384 176.863 176.300 0.299 0.000 0.961 380 D CA 1.378 55.529 54.000 0.252 0.000 0.861 380 D CB 0.161 41.049 40.800 0.147 0.000 0.997 380 D HN 0.366 nan 8.370 nan 0.000 0.486 381 N N -0.255 118.615 118.700 0.283 0.000 2.461 381 N HA 0.006 4.760 4.740 0.024 0.000 0.284 381 N C -0.083 175.637 175.510 0.351 0.000 1.049 381 N CA -0.335 52.893 53.050 0.297 0.000 0.889 381 N CB 1.531 40.158 38.487 0.232 0.000 1.365 381 N HN -0.164 nan 8.380 nan 0.000 0.499 382 F N 4.317 124.419 119.950 0.253 0.000 2.102 382 F HA -0.105 4.436 4.527 0.023 0.000 0.298 382 F C 1.663 177.603 175.800 0.233 0.000 1.105 382 F CA 1.353 59.505 58.000 0.254 0.000 1.239 382 F CB -0.107 39.016 39.000 0.204 0.000 0.991 382 F HN 0.601 nan 8.300 nan 0.000 0.474 383 F N 0.812 121.004 119.950 0.404 0.000 2.102 383 F HA -0.153 4.389 4.527 0.025 0.000 0.298 383 F C 2.314 178.171 175.800 0.095 0.000 1.105 383 F CA 1.783 59.931 58.000 0.247 0.000 1.239 383 F CB -0.811 38.316 39.000 0.211 0.000 0.991 383 F HN -0.004 nan 8.300 nan 0.000 0.474 384 A N -0.482 122.487 122.820 0.249 0.000 1.930 384 A HA -0.136 4.199 4.320 0.024 0.000 0.217 384 A C 2.048 179.574 177.584 -0.096 0.000 1.175 384 A CA 1.921 54.011 52.037 0.087 0.000 0.627 384 A CB -0.581 18.519 19.000 0.166 0.000 0.815 384 A HN 0.583 nan 8.150 nan 0.000 0.443 385 E N -1.363 118.793 120.200 -0.073 0.000 2.175 385 E HA -0.051 4.314 4.350 0.024 0.000 0.195 385 E C 1.921 178.438 176.600 -0.137 0.000 0.934 385 E CA 0.419 56.718 56.400 -0.168 0.000 0.870 385 E CB -0.098 29.559 29.700 -0.071 0.000 0.838 385 E HN 0.556 nan 8.360 nan 0.000 0.474 386 N N 1.316 119.912 118.700 -0.173 0.000 2.245 386 N HA -0.151 4.603 4.740 0.024 0.000 0.185 386 N C 1.826 177.155 175.510 -0.302 0.000 1.036 386 N CA 1.320 54.211 53.050 -0.265 0.000 0.857 386 N CB 0.117 38.032 38.487 -0.954 0.000 1.015 386 N HN -0.059 nan 8.380 nan 0.000 0.436 387 E N 0.792 120.733 120.200 -0.430 0.000 2.077 387 E HA -0.087 4.278 4.350 0.024 0.000 0.193 387 E C 1.513 177.915 176.600 -0.330 0.000 0.989 387 E CA 1.462 57.681 56.400 -0.302 0.000 0.800 387 E CB -0.131 29.415 29.700 -0.258 0.000 0.746 387 E HN 0.470 nan 8.360 nan 0.000 0.452 388 Q N -0.324 119.221 119.800 -0.426 0.000 2.403 388 Q HA 0.273 4.628 4.340 0.024 0.000 0.203 388 Q C -0.214 175.669 176.000 -0.194 0.000 0.932 388 Q CA 0.125 55.733 55.803 -0.325 0.000 0.945 388 Q CB 0.650 29.179 28.738 -0.349 0.000 1.045 388 Q HN 0.218 nan 8.270 nan 0.000 0.511 389 A N 1.059 123.790 122.820 -0.148 0.000 2.462 389 A HA 0.495 4.830 4.320 0.024 0.000 0.243 389 A C -0.158 177.344 177.584 -0.136 0.000 1.076 389 A CA 0.052 51.994 52.037 -0.158 0.000 0.773 389 A CB 0.330 19.331 19.000 0.001 0.000 1.010 389 A HN 0.268 nan 8.150 nan 0.000 0.493 390 A N 2.406 125.091 122.820 -0.225 0.000 2.310 390 A HA 0.689 5.023 4.320 0.024 0.000 0.304 390 A C -0.752 176.729 177.584 -0.171 0.000 1.231 390 A CA -0.408 51.557 52.037 -0.120 0.000 0.799 390 A CB 0.154 19.077 19.000 -0.127 0.000 1.162 390 A HN 0.635 nan 8.150 nan 0.000 0.486 391 F N 1.004 120.962 119.950 0.013 0.000 2.425 391 F HA 0.634 5.175 4.527 0.024 0.000 0.331 391 F C 0.393 176.164 175.800 -0.049 0.000 1.085 391 F CA -0.043 57.937 58.000 -0.033 0.000 1.028 391 F CB 1.869 40.799 39.000 -0.116 0.000 1.177 391 F HN 0.738 nan 8.300 nan 0.000 0.487 392 H N 3.306 122.219 119.070 -0.262 0.000 3.128 392 H HA 0.259 4.829 4.556 0.025 0.000 0.336 392 H C -2.421 172.502 175.328 -0.675 0.000 1.026 392 H CA -1.730 53.912 56.048 -0.676 0.000 1.376 392 H CB 2.574 31.850 29.762 -0.810 0.000 1.882 392 H HN 0.179 nan 8.280 nan 0.000 0.479 393 P HA -0.022 nan 4.420 nan 0.000 0.226 393 P C 1.207 178.368 177.300 -0.232 0.000 1.153 393 P CA 1.293 64.070 63.100 -0.537 0.000 0.777 393 P CB 0.115 31.553 31.700 -0.436 0.000 0.794 394 G N -0.859 107.620 108.800 -0.535 0.000 2.559 394 G HA2 -0.174 3.801 3.960 0.024 0.000 0.216 394 G HA3 -0.174 3.801 3.960 0.024 0.000 0.216 394 G C 0.446 175.569 174.900 0.371 0.000 1.126 394 G CA 0.035 45.207 45.100 0.120 0.000 0.778 394 G HN 0.451 nan 8.290 nan 0.000 0.543 395 H N 0.698 119.895 119.070 0.212 0.000 3.092 395 H HA 0.346 4.916 4.556 0.024 0.000 0.263 395 H C 0.616 176.048 175.328 0.173 0.000 1.611 395 H CA -0.788 55.346 56.048 0.142 0.000 1.457 395 H CB -0.090 29.718 29.762 0.077 0.000 1.731 395 H HN 0.378 nan 8.280 nan 0.000 0.532 396 I N -0.501 120.194 120.570 0.209 0.000 3.217 396 I HA 0.684 4.869 4.170 0.024 0.000 0.308 396 I C -0.134 175.961 176.117 -0.038 0.000 1.091 396 I CA -1.426 59.914 61.300 0.066 0.000 1.013 396 I CB 1.875 39.805 38.000 -0.117 0.000 1.250 396 I HN 0.111 nan 8.210 nan 0.000 0.496 397 V N -2.055 117.819 119.914 -0.066 0.000 3.102 397 V HA 0.673 4.807 4.120 0.024 0.000 0.312 397 V C -2.836 173.358 176.094 0.167 0.000 1.135 397 V CA -2.543 59.783 62.300 0.043 0.000 1.022 397 V CB 0.999 32.831 31.823 0.015 0.000 1.056 397 V HN 0.635 nan 8.190 nan 0.000 0.436 398 P HA 0.366 nan 4.420 nan 0.000 0.264 398 P C 0.917 178.215 177.300 -0.002 0.000 1.183 398 P CA 1.914 65.088 63.100 0.122 0.000 0.763 398 P CB 0.699 32.445 31.700 0.077 0.000 0.807 399 G N 1.582 110.336 108.800 -0.076 0.000 2.218 399 G HA2 -0.158 3.816 3.960 0.024 0.000 0.216 399 G HA3 -0.158 3.816 3.960 0.024 0.000 0.216 399 G C -0.273 174.540 174.900 -0.146 0.000 0.994 399 G CA -0.402 44.631 45.100 -0.112 0.000 0.637 399 G HN 0.451 nan 8.290 nan 0.000 0.505 400 L N 0.126 121.275 121.223 -0.124 0.000 2.323 400 L HA 0.913 5.267 4.340 0.024 0.000 0.265 400 L C -0.587 176.223 176.870 -0.099 0.000 1.012 400 L CA -1.065 53.680 54.840 -0.158 0.000 0.820 400 L CB 2.105 43.995 42.059 -0.281 0.000 1.334 400 L HN 0.089 nan 8.230 nan 0.000 0.427 401 D N -0.439 119.887 120.400 -0.123 0.000 2.665 401 D HA 0.459 5.113 4.640 0.024 0.000 0.287 401 D C -1.271 174.974 176.300 -0.092 0.000 1.266 401 D CA -0.352 53.546 54.000 -0.171 0.000 0.830 401 D CB 2.031 42.804 40.800 -0.044 0.000 1.356 401 D HN 0.118 nan 8.370 nan 0.000 0.437 402 F N -0.086 119.995 119.950 0.219 0.000 2.362 402 F HA 0.480 5.021 4.527 0.024 0.000 0.311 402 F C 1.535 177.364 175.800 0.049 0.000 1.161 402 F CA -0.319 57.750 58.000 0.114 0.000 1.085 402 F CB 1.164 40.199 39.000 0.058 0.000 1.311 402 F HN 0.164 nan 8.300 nan 0.000 0.524 403 T N -3.034 111.613 114.554 0.155 0.000 2.807 403 T HA 0.324 4.688 4.350 0.024 0.000 0.277 403 T C -0.019 174.712 174.700 0.052 0.000 1.006 403 T CA -1.010 61.163 62.100 0.120 0.000 1.006 403 T CB 1.177 70.091 68.868 0.076 0.000 1.274 403 T HN 0.382 nan 8.240 nan 0.000 0.569 404 N N 1.294 120.031 118.700 0.062 0.000 2.313 404 N HA 0.088 4.842 4.740 0.024 0.000 0.207 404 N C -0.106 175.408 175.510 0.005 0.000 1.141 404 N CA -0.049 53.018 53.050 0.029 0.000 0.830 404 N CB -0.369 38.152 38.487 0.056 0.000 1.008 404 N HN 0.681 nan 8.380 nan 0.000 0.481 405 D N 2.156 122.540 120.400 -0.027 0.000 2.581 405 D HA -0.071 4.583 4.640 0.024 0.000 0.238 405 D C -1.456 174.827 176.300 -0.028 0.000 1.145 405 D CA -0.835 53.169 54.000 0.006 0.000 0.866 405 D CB 1.349 42.094 40.800 -0.091 0.000 1.151 405 D HN 0.146 nan 8.370 nan 0.000 0.500 406 P HA -0.052 nan 4.420 nan 0.000 0.245 406 P C 1.437 178.744 177.300 0.012 0.000 1.206 406 P CA -0.010 63.094 63.100 0.008 0.000 0.781 406 P CB 0.476 32.176 31.700 0.000 0.000 0.994 407 L N -0.034 121.212 121.223 0.039 0.000 2.084 407 L HA 0.021 4.376 4.340 0.024 0.000 0.202 407 L C 2.357 179.138 176.870 -0.148 0.000 1.074 407 L CA 1.260 56.120 54.840 0.033 0.000 0.757 407 L CB -1.576 40.590 42.059 0.177 0.000 0.918 407 L HN -0.182 nan 8.230 nan 0.000 0.444 408 L N -0.386 120.585 121.223 -0.420 0.000 2.013 408 L HA -0.258 4.097 4.340 0.024 0.000 0.212 408 L C 2.462 179.081 176.870 -0.420 0.000 1.073 408 L CA 1.868 56.256 54.840 -0.753 0.000 0.753 408 L CB -0.857 40.505 42.059 -1.162 0.000 0.890 408 L HN 0.397 nan 8.230 nan 0.000 0.432 409 Q N -0.312 119.316 119.800 -0.287 0.000 2.135 409 Q HA -0.146 4.209 4.340 0.024 0.000 0.204 409 Q C 2.111 178.029 176.000 -0.137 0.000 0.981 409 Q CA 1.688 57.363 55.803 -0.213 0.000 0.856 409 Q CB -0.700 27.963 28.738 -0.125 0.000 0.902 409 Q HN 0.723 nan 8.270 nan 0.000 0.425 410 G N 0.533 109.280 108.800 -0.087 0.000 2.421 410 G HA2 -0.201 3.774 3.960 0.024 0.000 0.217 410 G HA3 -0.201 3.774 3.960 0.024 0.000 0.217 410 G C 1.516 176.430 174.900 0.023 0.000 1.143 410 G CA 0.093 45.187 45.100 -0.009 0.000 0.784 410 G HN 0.237 nan 8.290 nan 0.000 0.541 411 R N -0.085 120.373 120.500 -0.070 0.000 2.105 411 R HA 0.015 4.369 4.340 0.024 0.000 0.239 411 R C 2.486 178.832 176.300 0.077 0.000 1.135 411 R CA 0.910 57.017 56.100 0.012 0.000 0.967 411 R CB -0.473 29.775 30.300 -0.086 0.000 0.861 411 R HN 0.340 nan 8.270 nan 0.000 0.442 412 L N -0.333 120.840 121.223 -0.083 0.000 2.187 412 L HA -0.203 4.151 4.340 0.024 0.000 0.213 412 L C 2.273 179.277 176.870 0.224 0.000 1.100 412 L CA 1.087 55.901 54.840 -0.043 0.000 0.765 412 L CB -0.465 41.437 42.059 -0.263 0.000 0.904 412 L HN 0.167 nan 8.230 nan 0.000 0.437 413 F N 0.243 120.227 119.950 0.057 0.000 2.128 413 F HA -0.210 4.331 4.527 0.024 0.000 0.295 413 F C 2.818 178.676 175.800 0.096 0.000 1.100 413 F CA 1.672 59.708 58.000 0.060 0.000 1.260 413 F CB -0.249 38.762 39.000 0.017 0.000 1.009 413 F HN -0.043 nan 8.300 nan 0.000 0.476 414 S N -0.790 114.952 115.700 0.070 0.000 2.368 414 S HA -0.218 4.267 4.470 0.024 0.000 0.224 414 S C 2.002 176.498 174.600 -0.172 0.000 1.029 414 S CA 1.406 59.531 58.200 -0.124 0.000 0.988 414 S CB -0.814 62.339 63.200 -0.079 0.000 0.838 414 S HN 0.550 nan 8.310 nan 0.000 0.462 415 Y N 1.762 122.099 120.300 0.061 0.000 2.509 415 Y HA -0.015 4.550 4.550 0.024 0.000 0.293 415 Y C 2.892 178.505 175.900 -0.479 0.000 1.133 415 Y CA 1.158 59.310 58.100 0.086 0.000 1.283 415 Y CB -0.349 39.131 38.460 1.699 0.000 1.001 415 Y HN 0.497 nan 8.280 nan 0.000 0.555 416 T N -3.303 110.926 114.554 -0.541 0.000 3.009 416 T HA -0.099 4.266 4.350 0.024 0.000 0.258 416 T C 1.449 175.961 174.700 -0.314 0.000 1.063 416 T CA 0.973 62.820 62.100 -0.422 0.000 1.139 416 T CB -0.344 68.337 68.868 -0.312 0.000 0.890 416 T HN 0.217 nan 8.240 nan 0.000 0.471 417 D N 1.660 121.816 120.400 -0.407 0.000 2.092 417 D HA -0.150 4.505 4.640 0.024 0.000 0.193 417 D C 2.266 178.417 176.300 -0.248 0.000 0.994 417 D CA 1.873 55.648 54.000 -0.375 0.000 0.828 417 D CB -0.789 39.617 40.800 -0.658 0.000 0.963 417 D HN 0.341 nan 8.370 nan 0.000 0.450 418 T N -1.043 113.354 114.554 -0.262 0.000 2.881 418 T HA -0.132 4.232 4.350 0.024 0.000 0.270 418 T C 1.615 176.187 174.700 -0.212 0.000 1.068 418 T CA 1.161 63.142 62.100 -0.197 0.000 1.131 418 T CB -0.218 68.532 68.868 -0.197 0.000 0.871 418 T HN 0.151 nan 8.240 nan 0.000 0.479 419 Q N 0.672 120.270 119.800 -0.336 0.000 2.291 419 Q HA 0.021 4.375 4.340 0.024 0.000 0.205 419 Q C 2.229 178.106 176.000 -0.206 0.000 0.970 419 Q CA 0.645 56.198 55.803 -0.418 0.000 0.876 419 Q CB -0.424 27.670 28.738 -1.074 0.000 0.935 419 Q HN 0.516 nan 8.270 nan 0.000 0.455 420 I N 1.038 121.545 120.570 -0.105 0.000 2.361 420 I HA -0.203 3.981 4.170 0.024 0.000 0.251 420 I C 2.251 178.364 176.117 -0.007 0.000 1.133 420 I CA 1.678 62.976 61.300 -0.003 0.000 1.413 420 I CB -1.308 36.695 38.000 0.006 0.000 1.073 420 I HN 0.195 nan 8.210 nan 0.000 0.424 421 S N 0.141 115.821 115.700 -0.033 0.000 2.441 421 S HA -0.028 4.457 4.470 0.024 0.000 0.224 421 S C 2.147 176.734 174.600 -0.021 0.000 1.043 421 S CA -0.015 58.175 58.200 -0.015 0.000 0.948 421 S CB -0.213 62.983 63.200 -0.008 0.000 0.810 421 S HN 0.314 nan 8.310 nan 0.000 0.504 422 R N 0.853 121.321 120.500 -0.054 0.000 2.075 422 R HA 0.208 4.562 4.340 0.024 0.000 0.232 422 R C 1.414 177.691 176.300 -0.040 0.000 1.126 422 R CA 1.327 57.398 56.100 -0.049 0.000 0.963 422 R CB -0.185 30.065 30.300 -0.084 0.000 0.858 422 R HN 0.437 nan 8.270 nan 0.000 0.435 423 L N -0.984 120.205 121.223 -0.057 0.000 2.808 423 L HA 0.333 4.688 4.340 0.024 0.000 0.246 423 L C 0.783 177.665 176.870 0.021 0.000 1.153 423 L CA 0.337 55.161 54.840 -0.026 0.000 0.956 423 L CB 1.282 43.317 42.059 -0.040 0.000 1.270 423 L HN 0.594 nan 8.230 nan 0.000 0.528 424 G N -0.206 108.608 108.800 0.024 0.000 2.175 424 G HA2 -0.107 3.868 3.960 0.024 0.000 0.244 424 G HA3 -0.107 3.868 3.960 0.024 0.000 0.244 424 G C 0.414 175.351 174.900 0.060 0.000 0.982 424 G CA -0.136 44.986 45.100 0.037 0.000 0.641 424 G HN 0.739 nan 8.290 nan 0.000 0.527 425 G N -1.369 107.487 108.800 0.093 0.000 2.343 425 G HA2 0.620 4.594 3.960 0.024 0.000 0.289 425 G HA3 0.620 4.594 3.960 0.024 0.000 0.289 425 G C -2.379 172.643 174.900 0.203 0.000 1.295 425 G CA 0.448 45.616 45.100 0.115 0.000 0.869 425 G HN 0.464 nan 8.290 nan 0.000 0.522 426 P HA 0.144 nan 4.420 nan 0.000 0.255 426 P C 0.169 177.480 177.300 0.018 0.000 1.248 426 P CA 0.272 63.465 63.100 0.155 0.000 0.807 426 P CB 0.245 31.998 31.700 0.087 0.000 1.150 427 N N 0.480 119.188 118.700 0.014 0.000 2.327 427 N HA 0.058 4.812 4.740 0.024 0.000 0.231 427 N C 1.049 176.397 175.510 -0.270 0.000 1.130 427 N CA -0.171 52.786 53.050 -0.154 0.000 0.845 427 N CB -0.589 37.842 38.487 -0.094 0.000 1.073 427 N HN 0.257 nan 8.380 nan 0.000 0.496 428 F N 0.952 120.866 119.950 -0.059 0.000 2.333 428 F HA -0.088 4.453 4.527 0.023 0.000 0.300 428 F C 2.222 177.943 175.800 -0.132 0.000 1.083 428 F CA 0.824 58.766 58.000 -0.096 0.000 1.395 428 F CB -0.796 38.171 39.000 -0.055 0.000 1.056 428 F HN 0.173 nan 8.300 nan 0.000 0.529 429 H N 0.427 119.117 119.070 -0.633 0.000 2.545 429 H HA 0.041 4.612 4.556 0.025 0.000 0.282 429 H C 0.854 176.024 175.328 -0.263 0.000 1.020 429 H CA 1.393 57.177 56.048 -0.440 0.000 1.243 429 H CB -0.763 28.595 29.762 -0.673 0.000 1.377 429 H HN 0.535 nan 8.280 nan 0.000 0.581 430 E N 0.921 120.681 120.200 -0.733 0.000 2.478 430 E HA 0.180 4.545 4.350 0.024 0.000 0.194 430 E C 0.373 176.855 176.600 -0.197 0.000 1.045 430 E CA -0.290 55.864 56.400 -0.410 0.000 0.868 430 E CB 0.514 29.979 29.700 -0.393 0.000 0.885 430 E HN 0.439 nan 8.360 nan 0.000 0.505 431 I N 2.366 122.838 120.570 -0.165 0.000 2.648 431 I HA -0.051 4.133 4.170 0.024 0.000 0.284 431 I C -1.551 174.503 176.117 -0.104 0.000 1.153 431 I CA -1.400 59.834 61.300 -0.111 0.000 1.426 431 I CB 0.613 38.560 38.000 -0.087 0.000 1.381 431 I HN -0.204 nan 8.210 nan 0.000 0.571 432 P HA -0.201 nan 4.420 nan 0.000 0.215 432 P C 1.737 178.962 177.300 -0.126 0.000 1.153 432 P CA 1.111 64.154 63.100 -0.096 0.000 0.853 432 P CB 0.180 31.832 31.700 -0.081 0.000 0.788 433 I N -0.582 119.889 120.570 -0.165 0.000 2.335 433 I HA -0.207 3.977 4.170 0.024 0.000 0.251 433 I C 1.282 177.322 176.117 -0.128 0.000 1.129 433 I CA 1.758 62.911 61.300 -0.245 0.000 1.402 433 I CB -0.568 37.177 38.000 -0.426 0.000 1.069 433 I HN -0.111 nan 8.210 nan 0.000 0.424 434 N N 0.575 119.219 118.700 -0.094 0.000 2.412 434 N HA 0.060 4.814 4.740 0.024 0.000 0.184 434 N C 0.219 175.737 175.510 0.012 0.000 1.101 434 N CA 0.172 53.197 53.050 -0.041 0.000 0.881 434 N CB -0.062 38.414 38.487 -0.018 0.000 0.969 434 N HN 0.364 nan 8.380 nan 0.000 0.459 435 R N 1.491 121.989 120.500 -0.004 0.000 2.537 435 R HA 0.146 4.500 4.340 0.024 0.000 0.280 435 R C -2.216 174.134 176.300 0.083 0.000 1.058 435 R CA -1.130 54.970 56.100 0.001 0.000 1.057 435 R CB -0.054 30.233 30.300 -0.022 0.000 0.973 435 R HN 0.017 nan 8.270 nan 0.000 0.438 436 P HA -0.010 nan 4.420 nan 0.000 0.272 436 P C 0.570 177.932 177.300 0.102 0.000 1.223 436 P CA 0.005 63.176 63.100 0.119 0.000 0.784 436 P CB 0.722 32.453 31.700 0.053 0.000 0.923 437 T N -2.730 111.894 114.554 0.117 0.000 3.065 437 T HA 0.046 4.410 4.350 0.024 0.000 0.252 437 T C 0.903 175.641 174.700 0.063 0.000 1.099 437 T CA 0.058 62.185 62.100 0.045 0.000 1.063 437 T CB -1.014 67.861 68.868 0.013 0.000 0.948 437 T HN 0.568 nan 8.240 nan 0.000 0.506 438 C N 1.176 120.530 119.300 0.090 0.000 2.345 438 C HA 0.782 5.256 4.460 0.024 0.000 0.369 438 C C -2.474 172.572 174.990 0.094 0.000 1.273 438 C CA -2.499 56.571 59.018 0.087 0.000 2.310 438 C CB 0.061 27.857 27.740 0.095 0.000 2.219 438 C HN 0.171 nan 8.230 nan 0.000 0.587 439 P HA 0.338 nan 4.420 nan 0.000 0.271 439 P C -1.259 176.117 177.300 0.126 0.000 1.218 439 P CA 0.348 63.517 63.100 0.115 0.000 0.780 439 P CB 0.016 31.833 31.700 0.194 0.000 0.901 440 Y N 0.548 120.735 120.300 -0.188 0.000 2.396 440 Y HA 0.667 5.231 4.550 0.023 0.000 0.332 440 Y C -1.516 174.061 175.900 -0.539 0.000 1.034 440 Y CA -0.928 57.047 58.100 -0.207 0.000 1.057 440 Y CB 1.431 39.786 38.460 -0.174 0.000 1.220 440 Y HN 0.443 nan 8.280 nan 0.000 0.440 441 H N 3.669 122.617 119.070 -0.204 0.000 3.026 441 H HA 0.527 5.098 4.556 0.024 0.000 0.352 441 H C -1.221 173.973 175.328 -0.223 0.000 1.090 441 H CA -0.801 55.041 56.048 -0.343 0.000 1.268 441 H CB 1.685 31.287 29.762 -0.266 0.000 1.816 441 H HN 0.903 nan 8.280 nan 0.000 0.518 442 N N 0.369 118.944 118.700 -0.209 0.000 3.449 442 N HA 0.185 4.940 4.740 0.024 0.000 0.312 442 N C -1.230 174.030 175.510 -0.416 0.000 1.557 442 N CA -0.936 51.935 53.050 -0.297 0.000 0.864 442 N CB 0.637 39.119 38.487 -0.008 0.000 1.799 442 N HN 0.313 nan 8.380 nan 0.000 0.554 443 F N -0.336 119.652 119.950 0.064 0.000 2.641 443 F HA 0.361 4.902 4.527 0.023 0.000 0.302 443 F C 0.436 176.276 175.800 0.066 0.000 1.098 443 F CA -0.373 57.660 58.000 0.055 0.000 1.318 443 F CB 0.268 39.297 39.000 0.047 0.000 1.035 443 F HN 0.136 nan 8.300 nan 0.000 0.551 444 Q N 1.552 121.456 119.800 0.174 0.000 2.327 444 Q HA 0.395 4.750 4.340 0.024 0.000 0.254 444 Q C 0.037 176.112 176.000 0.124 0.000 0.952 444 Q CA -0.047 55.839 55.803 0.137 0.000 0.884 444 Q CB 1.048 29.842 28.738 0.094 0.000 1.224 444 Q HN 0.096 nan 8.270 nan 0.000 0.422 445 R N 1.673 122.241 120.500 0.113 0.000 2.836 445 R HA 0.375 4.729 4.340 0.024 0.000 0.269 445 R C -0.645 175.703 176.300 0.081 0.000 1.010 445 R CA -0.645 55.513 56.100 0.097 0.000 0.930 445 R CB 1.217 31.577 30.300 0.100 0.000 1.218 445 R HN 0.720 nan 8.270 nan 0.000 0.473 446 D N -0.267 120.174 120.400 0.068 0.000 3.496 446 D HA -0.162 4.492 4.640 0.024 0.000 0.238 446 D C 0.361 176.695 176.300 0.057 0.000 1.707 446 D CA 1.934 55.966 54.000 0.055 0.000 1.150 446 D CB -1.056 39.774 40.800 0.051 0.000 0.759 446 D HN 0.895 nan 8.370 nan 0.000 0.936 447 G N -1.406 107.426 108.800 0.053 0.000 2.712 447 G HA2 0.192 4.166 3.960 0.024 0.000 0.686 447 G HA3 0.192 4.166 3.960 0.024 0.000 0.686 447 G C -0.292 174.643 174.900 0.058 0.000 1.321 447 G CA 0.049 45.183 45.100 0.056 0.000 0.813 447 G HN 0.774 nan 8.290 nan 0.000 0.599 448 M N 1.120 120.759 119.600 0.066 0.000 2.249 448 M HA 0.454 4.948 4.480 0.024 0.000 0.340 448 M C 1.136 177.516 176.300 0.133 0.000 1.166 448 M CA 1.262 56.611 55.300 0.082 0.000 1.115 448 M CB -0.565 32.083 32.600 0.080 0.000 1.606 448 M HN 1.581 nan 8.290 nan 0.000 0.448 449 H N 1.045 120.119 119.070 0.007 0.000 2.604 449 H HA -0.203 4.367 4.556 0.022 0.000 0.321 449 H C -0.617 174.703 175.328 -0.014 0.000 1.132 449 H CA 0.511 56.559 56.048 -0.000 0.000 1.129 449 H CB -0.590 29.175 29.762 0.004 0.000 1.526 449 H HN 0.628 nan 8.280 nan 0.000 0.415 450 R N 1.704 122.243 120.500 0.064 0.000 2.446 450 R HA -0.012 4.343 4.340 0.024 0.000 0.325 450 R C 0.980 177.289 176.300 0.014 0.000 0.997 450 R CA 0.233 56.354 56.100 0.036 0.000 1.010 450 R CB 0.159 30.474 30.300 0.025 0.000 0.946 450 R HN 0.442 nan 8.270 nan 0.000 0.422 451 M N 2.628 122.250 119.600 0.036 0.000 2.276 451 M HA 0.176 4.670 4.480 0.024 0.000 0.262 451 M C 1.047 177.349 176.300 0.003 0.000 1.098 451 M CA 1.165 56.478 55.300 0.023 0.000 1.167 451 M CB -0.946 31.676 32.600 0.037 0.000 1.337 451 M HN 0.667 nan 8.290 nan 0.000 0.446 452 G N 1.711 110.518 108.800 0.011 0.000 2.365 452 G HA2 0.401 4.375 3.960 0.024 0.000 0.249 452 G HA3 0.401 4.375 3.960 0.024 0.000 0.249 452 G C -0.352 174.544 174.900 -0.007 0.000 1.288 452 G CA -0.420 44.678 45.100 -0.003 0.000 0.887 452 G HN 0.324 nan 8.290 nan 0.000 0.524 453 I N 2.844 123.404 120.570 -0.018 0.000 2.287 453 I HA 0.096 4.281 4.170 0.024 0.000 0.290 453 I C -0.208 175.898 176.117 -0.017 0.000 1.069 453 I CA -0.503 60.789 61.300 -0.013 0.000 1.237 453 I CB 0.790 38.782 38.000 -0.014 0.000 1.418 453 I HN 0.336 nan 8.210 nan 0.000 0.481 454 D N 4.563 124.958 120.400 -0.008 0.000 2.350 454 D HA 0.081 4.736 4.640 0.024 0.000 0.249 454 D C 1.159 177.459 176.300 0.001 0.000 1.119 454 D CA 0.261 54.254 54.000 -0.012 0.000 0.886 454 D CB 1.854 42.656 40.800 0.002 0.000 1.195 454 D HN 0.557 nan 8.370 nan 0.000 0.437 455 T N -1.005 113.546 114.554 -0.006 0.000 3.054 455 T HA -0.033 4.331 4.350 0.024 0.000 0.255 455 T C 0.799 175.507 174.700 0.013 0.000 1.035 455 T CA -0.570 61.532 62.100 0.002 0.000 0.941 455 T CB 0.170 69.033 68.868 -0.009 0.000 1.026 455 T HN 0.116 nan 8.240 nan 0.000 0.533 456 N N 3.337 122.047 118.700 0.017 0.000 2.411 456 N HA 0.099 4.853 4.740 0.024 0.000 0.261 456 N C -1.693 173.855 175.510 0.064 0.000 1.248 456 N CA -1.499 51.576 53.050 0.041 0.000 0.885 456 N CB 1.408 39.922 38.487 0.045 0.000 1.062 456 N HN 0.046 nan 8.380 nan 0.000 0.471 457 P HA -0.041 nan 4.420 nan 0.000 0.219 457 P C -0.633 176.722 177.300 0.091 0.000 1.146 457 P CA 1.029 64.171 63.100 0.071 0.000 0.808 457 P CB 0.223 31.960 31.700 0.061 0.000 0.779 458 A N 0.468 123.331 122.820 0.072 0.000 2.324 458 A HA 0.423 4.757 4.320 0.024 0.000 0.330 458 A C 0.354 178.030 177.584 0.153 0.000 1.165 458 A CA -0.665 51.356 52.037 -0.027 0.000 0.813 458 A CB 0.132 18.951 19.000 -0.302 0.000 1.197 458 A HN 0.263 nan 8.150 nan 0.000 0.484 459 N N 0.147 118.967 118.700 0.200 0.000 2.351 459 N HA 0.387 5.141 4.740 0.024 0.000 0.254 459 N C -0.912 174.752 175.510 0.256 0.000 1.241 459 N CA -0.376 52.886 53.050 0.352 0.000 0.883 459 N CB 0.305 38.955 38.487 0.271 0.000 1.202 459 N HN 0.681 nan 8.380 nan 0.000 0.512 460 Y N -1.302 118.839 120.300 -0.266 0.000 2.609 460 Y HA 0.651 5.215 4.550 0.024 0.000 0.336 460 Y C -1.481 173.749 175.900 -1.117 0.000 1.129 460 Y CA -1.424 56.336 58.100 -0.566 0.000 1.040 460 Y CB 0.938 39.251 38.460 -0.246 0.000 1.310 460 Y HN 0.065 nan 8.280 nan 0.000 0.460 461 E N 0.866 120.551 120.200 -0.858 0.000 2.367 461 E HA 0.685 5.049 4.350 0.024 0.000 0.273 461 E C -3.142 173.355 176.600 -0.172 0.000 0.903 461 E CA -2.090 53.939 56.400 -0.618 0.000 0.764 461 E CB 1.669 30.975 29.700 -0.657 0.000 1.252 461 E HN 0.548 nan 8.360 nan 0.000 0.446 462 P HA 0.278 nan 4.420 nan 0.000 0.275 462 P C -1.287 175.966 177.300 -0.077 0.000 1.227 462 P CA -0.451 62.585 63.100 -0.107 0.000 0.781 462 P CB 0.512 32.183 31.700 -0.048 0.000 0.906 463 N N -1.275 117.305 118.700 -0.199 0.000 2.262 463 N HA 0.351 5.105 4.740 0.024 0.000 0.295 463 N C 0.339 175.802 175.510 -0.078 0.000 1.161 463 N CA -0.765 52.187 53.050 -0.163 0.000 0.767 463 N CB 1.419 39.517 38.487 -0.648 0.000 1.499 463 N HN 0.185 nan 8.380 nan 0.000 0.476 464 S N 0.485 116.185 115.700 0.000 0.000 2.497 464 S HA -0.004 4.480 4.470 0.024 0.000 0.218 464 S C 1.578 176.188 174.600 0.016 0.000 1.023 464 S CA 0.045 58.246 58.200 0.002 0.000 0.913 464 S CB -0.815 62.399 63.200 0.022 0.000 0.800 464 S HN 0.706 nan 8.310 nan 0.000 0.505 465 I N -0.584 120.003 120.570 0.028 0.000 2.756 465 I HA 0.186 4.371 4.170 0.024 0.000 0.262 465 I C 1.292 177.437 176.117 0.045 0.000 1.225 465 I CA 1.311 62.639 61.300 0.046 0.000 1.472 465 I CB -0.422 37.624 38.000 0.076 0.000 1.094 465 I HN 0.177 nan 8.210 nan 0.000 0.454 466 N N 1.144 119.867 118.700 0.038 0.000 2.351 466 N HA 0.047 4.801 4.740 0.024 0.000 0.254 466 N C -0.117 175.492 175.510 0.167 0.000 1.241 466 N CA -0.055 53.060 53.050 0.108 0.000 0.883 466 N CB -0.033 38.531 38.487 0.129 0.000 1.202 466 N HN 0.198 nan 8.380 nan 0.000 0.512 467 D N 0.603 121.049 120.400 0.075 0.000 2.811 467 D HA -0.260 4.395 4.640 0.024 0.000 0.231 467 D C -0.037 176.143 176.300 -0.201 0.000 1.157 467 D CA 1.087 55.092 54.000 0.009 0.000 0.716 467 D CB -1.336 39.551 40.800 0.144 0.000 1.077 467 D HN 0.489 nan 8.370 nan 0.000 0.428 468 N N -1.859 116.759 118.700 -0.137 0.000 2.828 468 N HA -0.245 4.509 4.740 0.024 0.000 0.248 468 N C -0.794 174.624 175.510 -0.153 0.000 1.044 468 N CA 1.454 54.390 53.050 -0.189 0.000 0.851 468 N CB -1.260 37.079 38.487 -0.247 0.000 1.136 468 N HN 0.547 nan 8.380 nan 0.000 0.572 469 W N 0.965 122.316 121.300 0.085 0.000 2.381 469 W HA 0.455 5.129 4.660 0.024 0.000 0.329 469 W C -1.725 174.832 176.519 0.062 0.000 1.157 469 W CA -1.667 55.708 57.345 0.049 0.000 1.240 469 W CB 0.699 30.139 29.460 -0.034 0.000 1.199 469 W HN -0.058 nan 8.180 nan 0.000 0.579 470 P HA 0.199 nan 4.420 nan 0.000 0.275 470 P C -0.664 176.759 177.300 0.205 0.000 1.227 470 P CA -0.158 63.076 63.100 0.223 0.000 0.781 470 P CB 0.947 32.618 31.700 -0.048 0.000 0.906 471 R N 1.427 122.039 120.500 0.187 0.000 2.540 471 R HA 0.292 4.647 4.340 0.024 0.000 0.287 471 R C 0.429 176.762 176.300 0.055 0.000 0.980 471 R CA -0.758 55.328 56.100 -0.024 0.000 0.966 471 R CB 0.986 31.054 30.300 -0.387 0.000 1.106 471 R HN 0.491 nan 8.270 nan 0.000 0.480 472 E N 0.664 120.886 120.200 0.036 0.000 2.436 472 E HA 0.010 4.375 4.350 0.024 0.000 0.262 472 E C -0.528 176.096 176.600 0.040 0.000 1.063 472 E CA 0.678 57.109 56.400 0.052 0.000 0.944 472 E CB 0.617 30.339 29.700 0.037 0.000 0.950 472 E HN 0.359 nan 8.360 nan 0.000 0.444 473 T N 3.491 118.080 114.554 0.057 0.000 2.841 473 T HA 0.340 4.705 4.350 0.024 0.000 0.285 473 T C -2.406 172.318 174.700 0.041 0.000 0.991 473 T CA -1.588 60.544 62.100 0.053 0.000 0.966 473 T CB 1.408 70.319 68.868 0.072 0.000 0.962 473 T HN 0.258 nan 8.240 nan 0.000 0.438 474 P HA 0.261 nan 4.420 nan 0.000 0.270 474 P C -2.512 174.794 177.300 0.010 0.000 1.223 474 P CA -1.395 61.713 63.100 0.013 0.000 0.785 474 P CB -0.392 31.311 31.700 0.005 0.000 0.923 475 P HA 0.302 nan 4.420 nan 0.000 0.272 475 P C -0.080 177.209 177.300 -0.019 0.000 1.223 475 P CA 0.319 63.404 63.100 -0.025 0.000 0.784 475 P CB 0.777 32.442 31.700 -0.059 0.000 0.923 476 G N 1.110 109.898 108.800 -0.021 0.000 2.548 476 G HA2 0.394 4.369 3.960 0.024 0.000 0.301 476 G HA3 0.394 4.369 3.960 0.024 0.000 0.301 476 G C -2.519 172.371 174.900 -0.017 0.000 1.349 476 G CA -0.710 44.382 45.100 -0.014 0.000 0.792 476 G HN 0.165 nan 8.290 nan 0.000 0.481 477 P HA 0.107 nan 4.420 nan 0.000 0.221 477 P C 0.047 177.343 177.300 -0.007 0.000 1.150 477 P CA 1.055 64.147 63.100 -0.014 0.000 0.800 477 P CB 0.352 32.045 31.700 -0.010 0.000 0.787 478 K N -0.557 119.845 120.400 0.004 0.000 2.523 478 K HA 0.314 4.648 4.320 0.024 0.000 0.257 478 K C -0.080 176.535 176.600 0.025 0.000 0.932 478 K CA -0.881 55.416 56.287 0.015 0.000 0.812 478 K CB 2.309 34.820 32.500 0.017 0.000 1.326 478 K HN -0.293 nan 8.250 nan 0.000 0.433 479 R N -0.505 120.018 120.500 0.038 0.000 3.758 479 R HA -0.150 4.205 4.340 0.024 0.000 0.299 479 R C 0.126 176.455 176.300 0.048 0.000 1.182 479 R CA 1.036 57.165 56.100 0.048 0.000 0.809 479 R CB -2.182 28.146 30.300 0.046 0.000 1.249 479 R HN 0.973 nan 8.270 nan 0.000 0.497 480 G N -0.669 108.155 108.800 0.039 0.000 2.511 480 G HA2 0.615 4.590 3.960 0.024 0.000 0.316 480 G HA3 0.615 4.590 3.960 0.024 0.000 0.316 480 G C 0.375 175.308 174.900 0.054 0.000 1.210 480 G CA 0.077 45.198 45.100 0.036 0.000 0.969 480 G HN 0.241 nan 8.290 nan 0.000 0.492 481 G N -1.354 107.478 108.800 0.053 0.000 2.606 481 G HA2 0.407 4.381 3.960 0.024 0.000 0.252 481 G HA3 0.407 4.381 3.960 0.024 0.000 0.252 481 G C -0.726 174.227 174.900 0.088 0.000 1.206 481 G CA -0.514 44.639 45.100 0.089 0.000 0.861 481 G HN 0.447 nan 8.290 nan 0.000 0.561 482 F N 0.212 120.177 119.950 0.025 0.000 2.427 482 F HA 0.448 4.990 4.527 0.025 0.000 0.352 482 F C 0.467 176.281 175.800 0.024 0.000 1.100 482 F CA -0.352 57.659 58.000 0.018 0.000 1.191 482 F CB 1.072 40.086 39.000 0.024 0.000 1.128 482 F HN 0.451 nan 8.300 nan 0.000 0.533 483 E N 3.632 123.444 120.200 -0.647 0.000 2.272 483 E HA 0.329 4.694 4.350 0.024 0.000 0.269 483 E C -1.234 175.015 176.600 -0.586 0.000 0.877 483 E CA -0.791 55.385 56.400 -0.372 0.000 0.755 483 E CB 1.682 31.262 29.700 -0.201 0.000 1.192 483 E HN 0.625 nan 8.360 nan 0.000 0.422 484 S N 2.383 117.973 115.700 -0.182 0.000 2.565 484 S HA 0.045 4.529 4.470 0.024 0.000 0.276 484 S C -0.631 173.953 174.600 -0.025 0.000 1.326 484 S CA -0.380 57.804 58.200 -0.027 0.000 1.045 484 S CB 0.182 63.487 63.200 0.177 0.000 0.918 484 S HN 0.466 nan 8.310 nan 0.000 0.505 485 Y N 2.577 122.813 120.300 -0.107 0.000 2.712 485 Y HA -0.025 4.539 4.550 0.024 0.000 0.333 485 Y C 0.860 176.741 175.900 -0.032 0.000 1.225 485 Y CA 0.272 58.320 58.100 -0.087 0.000 1.499 485 Y CB 0.234 38.640 38.460 -0.090 0.000 1.288 485 Y HN 0.584 nan 8.280 nan 0.000 0.575 486 Q N 5.327 124.765 119.800 -0.603 0.000 3.247 486 Q HA 0.024 4.379 4.340 0.024 0.000 0.326 486 Q C -0.265 175.442 176.000 -0.488 0.000 1.402 486 Q CA -0.070 55.490 55.803 -0.406 0.000 0.994 486 Q CB -0.154 28.403 28.738 -0.302 0.000 1.647 486 Q HN 0.645 nan 8.270 nan 0.000 0.523 487 E N 1.611 121.607 120.200 -0.341 0.000 2.392 487 E HA -0.005 4.360 4.350 0.024 0.000 0.264 487 E C -0.338 176.236 176.600 -0.044 0.000 1.024 487 E CA -0.269 56.065 56.400 -0.109 0.000 0.903 487 E CB 0.710 30.491 29.700 0.135 0.000 0.963 487 E HN 0.263 nan 8.360 nan 0.000 0.432 488 R N 3.083 123.580 120.500 -0.005 0.000 2.438 488 R HA 0.226 4.580 4.340 0.024 0.000 0.287 488 R C -1.184 175.141 176.300 0.041 0.000 1.077 488 R CA -0.424 55.682 56.100 0.010 0.000 1.034 488 R CB 0.772 31.085 30.300 0.023 0.000 0.993 488 R HN 0.330 nan 8.270 nan 0.000 0.459 489 V N 4.124 124.055 119.914 0.028 0.000 2.555 489 V HA 0.398 4.532 4.120 0.024 0.000 0.302 489 V C -0.420 175.688 176.094 0.024 0.000 1.038 489 V CA -0.543 61.778 62.300 0.034 0.000 0.887 489 V CB 1.640 33.480 31.823 0.028 0.000 0.991 489 V HN 0.819 nan 8.190 nan 0.000 0.434 490 E N 2.453 122.668 120.200 0.025 0.000 2.307 490 E HA 0.620 4.984 4.350 0.024 0.000 0.280 490 E C -0.547 176.058 176.600 0.009 0.000 0.900 490 E CA -0.073 56.336 56.400 0.014 0.000 0.790 490 E CB 2.088 31.796 29.700 0.015 0.000 1.261 490 E HN 1.007 nan 8.360 nan 0.000 0.405 491 G N 2.918 111.719 108.800 0.001 0.000 2.320 491 G HA2 0.077 4.051 3.960 0.024 0.000 0.297 491 G HA3 0.077 4.051 3.960 0.024 0.000 0.297 491 G C -1.440 173.454 174.900 -0.009 0.000 1.344 491 G CA -0.910 44.187 45.100 -0.005 0.000 0.851 491 G HN 0.396 nan 8.290 nan 0.000 0.567 492 N N 0.042 118.734 118.700 -0.015 0.000 2.482 492 N HA 0.395 5.149 4.740 0.024 0.000 0.279 492 N C -0.228 175.270 175.510 -0.021 0.000 1.182 492 N CA -0.402 52.638 53.050 -0.016 0.000 0.969 492 N CB 1.171 39.647 38.487 -0.018 0.000 1.201 492 N HN 0.469 nan 8.380 nan 0.000 0.523 493 K N 0.916 121.303 120.400 -0.021 0.000 2.336 493 K HA 0.208 4.543 4.320 0.024 0.000 0.290 493 K C -0.420 176.160 176.600 -0.034 0.000 1.067 493 K CA -0.157 56.114 56.287 -0.027 0.000 0.962 493 K CB -0.035 32.450 32.500 -0.024 0.000 1.008 493 K HN 0.331 nan 8.250 nan 0.000 0.467 494 V N 0.352 120.241 119.914 -0.043 0.000 3.007 494 V HA 0.491 4.625 4.120 0.024 0.000 0.311 494 V C -0.509 175.546 176.094 -0.065 0.000 1.120 494 V CA -1.378 60.893 62.300 -0.050 0.000 0.980 494 V CB 2.051 33.845 31.823 -0.048 0.000 1.033 494 V HN 0.619 nan 8.190 nan 0.000 0.429 495 R N 1.994 122.451 120.500 -0.072 0.000 2.369 495 R HA 0.631 4.985 4.340 0.024 0.000 0.310 495 R C -0.559 175.691 176.300 -0.083 0.000 1.141 495 R CA -0.138 55.906 56.100 -0.094 0.000 1.116 495 R CB 0.881 31.113 30.300 -0.114 0.000 1.135 495 R HN 0.943 nan 8.270 nan 0.000 0.529 496 E N 1.871 122.018 120.200 -0.087 0.000 2.352 496 E HA 0.251 4.616 4.350 0.024 0.000 0.280 496 E C -1.349 175.183 176.600 -0.114 0.000 0.930 496 E CA -1.000 55.352 56.400 -0.081 0.000 0.765 496 E CB 1.655 31.313 29.700 -0.069 0.000 1.219 496 E HN 0.128 nan 8.360 nan 0.000 0.434 497 R N 1.645 122.083 120.500 -0.104 0.000 2.357 497 R HA 0.281 4.636 4.340 0.024 0.000 0.296 497 R C -0.616 175.574 176.300 -0.185 0.000 1.052 497 R CA -0.045 55.955 56.100 -0.166 0.000 0.988 497 R CB 1.356 31.619 30.300 -0.062 0.000 1.025 497 R HN 0.396 nan 8.270 nan 0.000 0.469 498 S N 4.631 120.117 115.700 -0.357 0.000 2.549 498 S HA 0.120 4.605 4.470 0.024 0.000 0.286 498 S C -1.541 173.037 174.600 -0.036 0.000 1.314 498 S CA -1.192 56.882 58.200 -0.209 0.000 1.062 498 S CB 0.663 63.691 63.200 -0.285 0.000 0.865 498 S HN 0.553 nan 8.310 nan 0.000 0.498 499 P HA -0.090 nan 4.420 nan 0.000 0.219 499 P C 1.455 178.807 177.300 0.087 0.000 1.146 499 P CA 1.135 64.258 63.100 0.039 0.000 0.808 499 P CB -0.163 31.546 31.700 0.016 0.000 0.779 500 S N -2.050 113.742 115.700 0.153 0.000 2.469 500 S HA -0.104 4.380 4.470 0.024 0.000 0.238 500 S C 1.363 176.121 174.600 0.264 0.000 0.998 500 S CA 0.826 59.149 58.200 0.205 0.000 0.957 500 S CB -1.318 62.034 63.200 0.253 0.000 0.764 500 S HN -0.017 nan 8.310 nan 0.000 0.514 501 F N 2.053 121.992 119.950 -0.018 0.000 2.765 501 F HA 0.413 4.954 4.527 0.024 0.000 0.302 501 F C 1.825 177.563 175.800 -0.103 0.000 1.111 501 F CA -0.942 57.046 58.000 -0.021 0.000 1.359 501 F CB -0.372 38.647 39.000 0.032 0.000 1.097 501 F HN 0.344 nan 8.300 nan 0.000 0.577 502 G N 0.481 109.269 108.800 -0.019 0.000 3.943 502 G HA2 0.168 4.143 3.960 0.024 0.000 0.275 502 G HA3 0.168 4.143 3.960 0.024 0.000 0.275 502 G C -0.203 174.270 174.900 -0.711 0.000 1.234 502 G CA 0.051 44.961 45.100 -0.316 0.000 1.522 502 G HN 0.022 nan 8.290 nan 0.000 0.636 503 E N 0.294 119.997 120.200 -0.829 0.000 2.263 503 E HA 0.344 4.708 4.350 0.024 0.000 0.268 503 E C -0.860 175.308 176.600 -0.720 0.000 0.884 503 E CA -0.721 55.261 56.400 -0.695 0.000 0.766 503 E CB 1.639 31.185 29.700 -0.256 0.000 1.196 503 E HN 0.202 nan 8.360 nan 0.000 0.416 504 Y N 2.517 122.609 120.300 -0.347 0.000 2.423 504 Y HA 0.185 4.750 4.550 0.024 0.000 0.257 504 Y C 0.857 176.502 175.900 -0.424 0.000 1.087 504 Y CA -0.096 57.704 58.100 -0.500 0.000 1.258 504 Y CB 0.337 38.327 38.460 -0.784 0.000 1.237 504 Y HN 0.433 nan 8.280 nan 0.000 0.517 505 Y N -1.739 118.645 120.300 0.140 0.000 2.498 505 Y HA 0.164 4.728 4.550 0.024 0.000 0.259 505 Y C 2.252 178.213 175.900 0.102 0.000 1.086 505 Y CA 0.191 58.368 58.100 0.128 0.000 1.287 505 Y CB -0.219 38.321 38.460 0.133 0.000 1.146 505 Y HN -0.129 nan 8.280 nan 0.000 0.523 506 S N -0.520 115.315 115.700 0.226 0.000 2.383 506 S HA -0.165 4.319 4.470 0.024 0.000 0.227 506 S C 1.432 176.113 174.600 0.135 0.000 1.026 506 S CA 1.538 59.851 58.200 0.189 0.000 0.981 506 S CB -0.269 63.050 63.200 0.198 0.000 0.818 506 S HN 0.488 nan 8.310 nan 0.000 0.472 507 H N 1.140 120.128 119.070 -0.136 0.000 2.395 507 H HA 0.083 4.654 4.556 0.024 0.000 0.299 507 H C -0.728 174.398 175.328 -0.337 0.000 1.070 507 H CA 0.805 56.636 56.048 -0.363 0.000 1.356 507 H CB -1.572 27.739 29.762 -0.752 0.000 1.401 507 H HN 0.310 nan 8.280 nan 0.000 0.524 508 P HA -0.177 nan 4.420 nan 0.000 0.216 508 P C 1.518 179.001 177.300 0.305 0.000 1.153 508 P CA 1.644 64.882 63.100 0.231 0.000 0.858 508 P CB 0.104 31.972 31.700 0.281 0.000 0.789 509 R N -0.361 120.272 120.500 0.222 0.000 2.081 509 R HA -0.139 4.215 4.340 0.024 0.000 0.235 509 R C 2.163 178.600 176.300 0.228 0.000 1.131 509 R CA 1.219 57.457 56.100 0.230 0.000 0.960 509 R CB -1.077 29.320 30.300 0.161 0.000 0.856 509 R HN 0.065 nan 8.270 nan 0.000 0.436 510 L N 0.416 121.715 121.223 0.127 0.000 2.083 510 L HA -0.130 4.224 4.340 0.024 0.000 0.209 510 L C 1.969 178.910 176.870 0.120 0.000 1.083 510 L CA 1.698 56.578 54.840 0.068 0.000 0.752 510 L CB -0.661 41.361 42.059 -0.061 0.000 0.899 510 L HN 0.237 nan 8.230 nan 0.000 0.433 511 F N -0.858 119.132 119.950 0.066 0.000 2.102 511 F HA -0.267 4.274 4.527 0.024 0.000 0.298 511 F C 2.322 178.136 175.800 0.022 0.000 1.105 511 F CA 2.095 60.113 58.000 0.030 0.000 1.239 511 F CB -0.588 38.465 39.000 0.087 0.000 0.991 511 F HN 0.370 nan 8.300 nan 0.000 0.474 512 W N 1.346 122.683 121.300 0.061 0.000 2.335 512 W HA -0.249 4.426 4.660 0.024 0.000 0.311 512 W C 1.647 178.067 176.519 -0.166 0.000 1.213 512 W CA 1.791 59.106 57.345 -0.049 0.000 1.274 512 W CB -0.695 28.808 29.460 0.072 0.000 1.148 512 W HN 0.077 nan 8.180 nan 0.000 0.498 513 L N 1.104 122.277 121.223 -0.083 0.000 2.465 513 L HA -0.128 4.227 4.340 0.024 0.000 0.224 513 L C 2.318 179.009 176.870 -0.299 0.000 1.145 513 L CA 0.900 55.610 54.840 -0.217 0.000 0.834 513 L CB -0.616 41.435 42.059 -0.014 0.000 0.944 513 L HN -0.152 nan 8.230 nan 0.000 0.451 514 S N -1.464 114.038 115.700 -0.330 0.000 2.558 514 S HA 0.053 4.538 4.470 0.024 0.000 0.217 514 S C 0.771 175.088 174.600 -0.472 0.000 0.975 514 S CA 0.109 58.105 58.200 -0.340 0.000 0.912 514 S CB 0.034 63.062 63.200 -0.288 0.000 0.776 514 S HN 0.289 nan 8.310 nan 0.000 0.526 515 Q N 2.135 121.551 119.800 -0.640 0.000 2.260 515 Q HA 0.291 4.646 4.340 0.024 0.000 0.242 515 Q C 0.685 176.299 176.000 -0.643 0.000 0.932 515 Q CA -0.101 55.287 55.803 -0.693 0.000 0.891 515 Q CB 0.480 28.736 28.738 -0.802 0.000 1.222 515 Q HN 0.434 nan 8.270 nan 0.000 0.453 516 T N -1.816 112.317 114.554 -0.702 0.000 2.701 516 T HA 0.129 4.493 4.350 0.024 0.000 0.303 516 T C -1.732 172.497 174.700 -0.784 0.000 1.030 516 T CA -1.165 60.479 62.100 -0.760 0.000 1.010 516 T CB 0.146 68.291 68.868 -1.206 0.000 1.007 516 T HN 0.240 nan 8.240 nan 0.000 0.532 517 P HA 0.010 nan 4.420 nan 0.000 0.217 517 P C 1.428 178.499 177.300 -0.382 0.000 1.150 517 P CA 0.935 63.803 63.100 -0.386 0.000 0.832 517 P CB -0.253 31.344 31.700 -0.172 0.000 0.787 518 F N -0.076 119.673 119.950 -0.335 0.000 2.259 518 F HA 0.036 4.577 4.527 0.024 0.000 0.298 518 F C 1.775 177.216 175.800 -0.599 0.000 1.088 518 F CA 0.875 58.605 58.000 -0.450 0.000 1.358 518 F CB -1.547 37.184 39.000 -0.447 0.000 1.040 518 F HN -0.103 nan 8.300 nan 0.000 0.505 519 E N 0.573 120.177 120.200 -0.993 0.000 2.106 519 E HA -0.196 4.169 4.350 0.024 0.000 0.192 519 E C 2.215 178.620 176.600 -0.325 0.000 0.984 519 E CA 1.349 57.419 56.400 -0.549 0.000 0.806 519 E CB -0.261 29.065 29.700 -0.623 0.000 0.750 519 E HN 0.629 nan 8.360 nan 0.000 0.458 520 Q N 0.333 119.852 119.800 -0.468 0.000 2.084 520 Q HA -0.202 4.152 4.340 0.024 0.000 0.202 520 Q C 2.255 178.278 176.000 0.038 0.000 0.978 520 Q CA 1.228 56.795 55.803 -0.393 0.000 0.844 520 Q CB -0.158 28.075 28.738 -0.841 0.000 0.898 520 Q HN -0.008 nan 8.270 nan 0.000 0.426 521 R N 0.612 121.103 120.500 -0.016 0.000 2.083 521 R HA -0.173 4.181 4.340 0.024 0.000 0.237 521 R C 1.672 178.139 176.300 0.279 0.000 1.137 521 R CA 1.993 58.174 56.100 0.135 0.000 0.951 521 R CB -0.554 29.789 30.300 0.071 0.000 0.851 521 R HN 0.496 nan 8.270 nan 0.000 0.434 522 H N -0.945 118.218 119.070 0.154 0.000 2.421 522 H HA -0.031 4.539 4.556 0.024 0.000 0.298 522 H C 2.050 177.498 175.328 0.200 0.000 1.087 522 H CA 1.138 57.294 56.048 0.180 0.000 1.330 522 H CB 0.001 29.874 29.762 0.184 0.000 1.388 522 H HN 0.195 nan 8.280 nan 0.000 0.526 523 I N 0.102 120.892 120.570 0.367 0.000 2.179 523 I HA -0.246 3.939 4.170 0.024 0.000 0.242 523 I C 2.298 178.718 176.117 0.505 0.000 1.088 523 I CA 0.769 62.330 61.300 0.434 0.000 1.357 523 I CB -0.083 38.270 38.000 0.589 0.000 1.051 523 I HN 0.080 nan 8.210 nan 0.000 0.409 524 V N 0.733 120.930 119.914 0.471 0.000 2.343 524 V HA -0.299 3.835 4.120 0.024 0.000 0.247 524 V C 1.968 178.246 176.094 0.307 0.000 1.051 524 V CA 1.993 64.519 62.300 0.376 0.000 1.036 524 V CB -0.619 31.382 31.823 0.297 0.000 0.654 524 V HN 0.408 nan 8.190 nan 0.000 0.451 525 D N 0.288 120.851 120.400 0.272 0.000 2.178 525 D HA -0.070 4.584 4.640 0.024 0.000 0.202 525 D C 2.155 178.548 176.300 0.156 0.000 0.974 525 D CA 1.404 55.532 54.000 0.214 0.000 0.841 525 D CB -0.498 40.436 40.800 0.224 0.000 0.953 525 D HN 0.463 nan 8.370 nan 0.000 0.478 526 G N 0.145 109.019 108.800 0.123 0.000 2.433 526 G HA2 -0.253 3.722 3.960 0.024 0.000 0.216 526 G HA3 -0.253 3.722 3.960 0.024 0.000 0.216 526 G C 1.445 176.356 174.900 0.018 0.000 1.186 526 G CA 0.209 45.289 45.100 -0.033 0.000 0.779 526 G HN 0.175 nan 8.290 nan 0.000 0.543 527 F N 1.806 121.805 119.950 0.081 0.000 2.161 527 F HA -0.091 4.450 4.527 0.024 0.000 0.300 527 F C 3.159 178.886 175.800 -0.121 0.000 1.089 527 F CA 1.607 59.592 58.000 -0.024 0.000 1.282 527 F CB -0.268 38.722 39.000 -0.017 0.000 1.010 527 F HN 0.086 nan 8.300 nan 0.000 0.485 528 S N -0.270 115.533 115.700 0.172 0.000 2.368 528 S HA -0.190 4.294 4.470 0.024 0.000 0.224 528 S C 1.855 176.470 174.600 0.026 0.000 1.029 528 S CA 1.161 59.403 58.200 0.070 0.000 0.988 528 S CB -0.721 62.545 63.200 0.109 0.000 0.838 528 S HN 0.404 nan 8.310 nan 0.000 0.462 529 F N 2.582 122.496 119.950 -0.061 0.000 2.113 529 F HA -0.072 4.470 4.527 0.024 0.000 0.297 529 F C 2.355 178.095 175.800 -0.100 0.000 1.103 529 F CA 1.424 59.379 58.000 -0.075 0.000 1.248 529 F CB -0.277 38.620 39.000 -0.170 0.000 0.999 529 F HN 0.106 nan 8.300 nan 0.000 0.475 530 E N 0.569 120.749 120.200 -0.032 0.000 2.077 530 E HA -0.216 4.149 4.350 0.024 0.000 0.193 530 E C 2.340 178.744 176.600 -0.327 0.000 0.989 530 E CA 1.627 57.977 56.400 -0.084 0.000 0.800 530 E CB -0.494 29.309 29.700 0.172 0.000 0.746 530 E HN 0.481 nan 8.360 nan 0.000 0.452 531 L N 0.841 121.792 121.223 -0.452 0.000 2.291 531 L HA -0.084 4.270 4.340 0.024 0.000 0.214 531 L C 2.374 179.072 176.870 -0.287 0.000 1.120 531 L CA 0.416 54.962 54.840 -0.490 0.000 0.799 531 L CB -0.121 41.671 42.059 -0.445 0.000 0.925 531 L HN -0.004 nan 8.230 nan 0.000 0.446 532 S N -0.411 115.133 115.700 -0.260 0.000 2.447 532 S HA -0.081 4.404 4.470 0.024 0.000 0.233 532 S C 1.652 176.128 174.600 -0.207 0.000 1.006 532 S CA 0.941 59.013 58.200 -0.214 0.000 0.957 532 S CB -0.043 63.027 63.200 -0.216 0.000 0.773 532 S HN 0.284 nan 8.310 nan 0.000 0.507 533 K N 1.218 121.475 120.400 -0.240 0.000 2.404 533 K HA 0.239 4.573 4.320 0.024 0.000 0.194 533 K C -0.111 176.480 176.600 -0.015 0.000 1.023 533 K CA 0.063 56.274 56.287 -0.126 0.000 1.094 533 K CB 0.033 32.456 32.500 -0.128 0.000 0.841 533 K HN 0.184 nan 8.250 nan 0.000 0.523 534 V N 1.959 121.839 119.914 -0.055 0.000 2.406 534 V HA 0.025 4.160 4.120 0.024 0.000 0.272 534 V C 1.605 177.683 176.094 -0.025 0.000 1.043 534 V CA -0.117 62.179 62.300 -0.007 0.000 0.915 534 V CB 1.520 33.299 31.823 -0.074 0.000 0.988 534 V HN -0.126 nan 8.190 nan 0.000 0.466 535 V N 5.188 125.112 119.914 0.017 0.000 2.591 535 V HA 0.007 4.141 4.120 0.024 0.000 0.249 535 V C 1.273 177.358 176.094 -0.015 0.000 1.053 535 V CA 1.147 63.455 62.300 0.014 0.000 1.068 535 V CB -0.457 31.395 31.823 0.049 0.000 0.689 535 V HN 0.730 nan 8.190 nan 0.000 0.462 536 R N 0.754 121.220 120.500 -0.057 0.000 2.210 536 R HA 0.215 4.570 4.340 0.024 0.000 0.338 536 R C -1.821 174.372 176.300 -0.177 0.000 1.062 536 R CA -1.470 54.571 56.100 -0.099 0.000 0.902 536 R CB 0.895 31.071 30.300 -0.207 0.000 1.050 536 R HN 0.191 nan 8.270 nan 0.000 0.461 537 P HA -0.158 nan 4.420 nan 0.000 0.221 537 P C 0.636 177.908 177.300 -0.046 0.000 1.150 537 P CA 0.917 63.989 63.100 -0.046 0.000 0.800 537 P CB 0.065 31.775 31.700 0.016 0.000 0.787 538 Y N -1.283 119.017 120.300 -0.000 0.000 2.333 538 Y HA -0.098 4.466 4.550 0.024 0.000 0.290 538 Y C 1.863 177.768 175.900 0.009 0.000 1.144 538 Y CA 0.834 58.935 58.100 0.001 0.000 1.228 538 Y CB -1.749 36.713 38.460 0.003 0.000 0.985 538 Y HN -0.119 nan 8.280 nan 0.000 0.542 539 I N 0.885 121.046 120.570 -0.682 0.000 2.315 539 I HA -0.235 3.949 4.170 0.024 0.000 0.248 539 I C 2.459 178.489 176.117 -0.146 0.000 1.117 539 I CA 1.300 62.374 61.300 -0.377 0.000 1.404 539 I CB -0.358 37.399 38.000 -0.405 0.000 1.071 539 I HN 0.215 nan 8.210 nan 0.000 0.419 540 R N 0.797 121.202 120.500 -0.158 0.000 2.081 540 R HA -0.173 4.181 4.340 0.024 0.000 0.235 540 R C 2.091 178.343 176.300 -0.081 0.000 1.131 540 R CA 1.413 57.432 56.100 -0.134 0.000 0.960 540 R CB -0.410 29.809 30.300 -0.135 0.000 0.856 540 R HN 0.449 nan 8.270 nan 0.000 0.436 541 E N 0.568 120.743 120.200 -0.040 0.000 2.077 541 E HA -0.155 4.210 4.350 0.024 0.000 0.193 541 E C 2.150 178.757 176.600 0.011 0.000 0.989 541 E CA 0.998 57.394 56.400 -0.006 0.000 0.800 541 E CB -0.023 29.697 29.700 0.034 0.000 0.746 541 E HN 0.273 nan 8.360 nan 0.000 0.452 542 R N 0.354 120.877 120.500 0.039 0.000 2.096 542 R HA -0.111 4.244 4.340 0.024 0.000 0.235 542 R C 2.415 178.745 176.300 0.049 0.000 1.127 542 R CA 1.089 57.225 56.100 0.061 0.000 0.968 542 R CB -0.287 30.069 30.300 0.093 0.000 0.861 542 R HN 0.062 nan 8.270 nan 0.000 0.440 543 V N 0.322 120.258 119.914 0.038 0.000 2.343 543 V HA -0.207 3.928 4.120 0.024 0.000 0.247 543 V C 2.302 178.383 176.094 -0.021 0.000 1.051 543 V CA 1.538 63.872 62.300 0.056 0.000 1.036 543 V CB -0.332 31.535 31.823 0.073 0.000 0.654 543 V HN 0.127 nan 8.190 nan 0.000 0.451 544 V N 0.514 120.389 119.914 -0.065 0.000 2.343 544 V HA -0.311 3.823 4.120 0.024 0.000 0.247 544 V C 2.317 178.370 176.094 -0.070 0.000 1.051 544 V CA 2.473 64.710 62.300 -0.106 0.000 1.036 544 V CB -0.672 31.092 31.823 -0.098 0.000 0.654 544 V HN 0.654 nan 8.190 nan 0.000 0.451 545 D N -0.599 119.793 120.400 -0.014 0.000 2.149 545 D HA -0.209 4.445 4.640 0.024 0.000 0.198 545 D C 2.271 178.645 176.300 0.123 0.000 0.990 545 D CA 1.446 55.467 54.000 0.035 0.000 0.839 545 D CB -0.045 40.798 40.800 0.072 0.000 0.948 545 D HN 0.525 nan 8.370 nan 0.000 0.460 546 Q N -0.373 119.485 119.800 0.098 0.000 2.084 546 Q HA -0.103 4.251 4.340 0.024 0.000 0.202 546 Q C 2.513 178.548 176.000 0.059 0.000 0.978 546 Q CA 0.881 56.762 55.803 0.130 0.000 0.844 546 Q CB -0.131 28.697 28.738 0.149 0.000 0.898 546 Q HN 0.398 nan 8.270 nan 0.000 0.426 547 L N 0.324 121.510 121.223 -0.062 0.000 2.081 547 L HA -0.232 4.123 4.340 0.024 0.000 0.212 547 L C 2.455 179.203 176.870 -0.203 0.000 1.080 547 L CA 1.080 55.799 54.840 -0.202 0.000 0.754 547 L CB -0.729 41.105 42.059 -0.376 0.000 0.893 547 L HN 0.230 nan 8.230 nan 0.000 0.433 548 A N -0.867 121.852 122.820 -0.169 0.000 2.067 548 A HA -0.192 4.143 4.320 0.024 0.000 0.219 548 A C 1.768 179.155 177.584 -0.329 0.000 1.158 548 A CA 1.225 53.121 52.037 -0.235 0.000 0.661 548 A CB -0.739 18.127 19.000 -0.223 0.000 0.801 548 A HN 0.466 nan 8.150 nan 0.000 0.452 549 H N -1.152 117.707 119.070 -0.353 0.000 2.551 549 H HA 0.235 4.805 4.556 0.024 0.000 0.266 549 H C 1.563 176.606 175.328 -0.476 0.000 0.977 549 H CA 1.063 56.763 56.048 -0.580 0.000 1.163 549 H CB 0.067 29.066 29.762 -1.270 0.000 1.381 549 H HN 0.507 nan 8.280 nan 0.000 0.581 550 I N -1.202 119.262 120.570 -0.177 0.000 2.899 550 I HA 0.080 4.265 4.170 0.024 0.000 0.257 550 I C -0.127 175.913 176.117 -0.129 0.000 1.115 550 I CA 0.434 61.698 61.300 -0.059 0.000 1.451 550 I CB 0.666 38.663 38.000 -0.004 0.000 1.251 550 I HN 0.101 nan 8.210 nan 0.000 0.456 551 D N -0.215 120.035 120.400 -0.250 0.000 2.804 551 D HA 0.127 4.781 4.640 0.024 0.000 0.209 551 D C 0.300 176.426 176.300 -0.290 0.000 1.314 551 D CA -0.360 53.475 54.000 -0.275 0.000 0.894 551 D CB 1.341 41.843 40.800 -0.496 0.000 1.615 551 D HN -0.080 nan 8.370 nan 0.000 0.571 552 L N 3.173 124.287 121.223 -0.181 0.000 2.083 552 L HA -0.069 4.286 4.340 0.024 0.000 0.209 552 L C 1.305 178.091 176.870 -0.141 0.000 1.083 552 L CA 2.024 56.771 54.840 -0.155 0.000 0.752 552 L CB -0.793 41.207 42.059 -0.098 0.000 0.899 552 L HN 0.613 nan 8.230 nan 0.000 0.433 553 T N 0.839 115.336 114.554 -0.095 0.000 2.708 553 T HA -0.215 4.149 4.350 0.024 0.000 0.266 553 T C 1.863 176.494 174.700 -0.115 0.000 1.037 553 T CA 1.648 63.737 62.100 -0.018 0.000 1.146 553 T CB -0.377 68.580 68.868 0.148 0.000 0.865 553 T HN 0.306 nan 8.240 nan 0.000 0.435 554 L N 1.677 122.652 121.223 -0.413 0.000 1.989 554 L HA -0.032 4.323 4.340 0.024 0.000 0.211 554 L C 2.600 179.232 176.870 -0.396 0.000 1.071 554 L CA 2.209 56.644 54.840 -0.675 0.000 0.749 554 L CB -1.153 40.083 42.059 -1.372 0.000 0.890 554 L HN 0.226 nan 8.230 nan 0.000 0.431 555 A N -1.239 121.366 122.820 -0.359 0.000 1.902 555 A HA -0.246 4.088 4.320 0.024 0.000 0.217 555 A C 2.217 179.696 177.584 -0.175 0.000 1.181 555 A CA 1.801 53.676 52.037 -0.270 0.000 0.623 555 A CB -0.636 18.224 19.000 -0.232 0.000 0.818 555 A HN 0.695 nan 8.150 nan 0.000 0.443 556 Q N -0.857 118.863 119.800 -0.133 0.000 2.170 556 Q HA -0.088 4.266 4.340 0.024 0.000 0.203 556 Q C 2.359 178.329 176.000 -0.050 0.000 0.976 556 Q CA 1.264 57.020 55.803 -0.078 0.000 0.858 556 Q CB -0.313 28.393 28.738 -0.053 0.000 0.907 556 Q HN 0.704 nan 8.270 nan 0.000 0.433 557 A N 0.022 122.817 122.820 -0.042 0.000 1.929 557 A HA -0.076 4.258 4.320 0.024 0.000 0.216 557 A C 2.253 179.837 177.584 0.000 0.000 1.176 557 A CA 0.850 52.892 52.037 0.008 0.000 0.628 557 A CB -0.351 18.686 19.000 0.061 0.000 0.816 557 A HN 0.186 nan 8.150 nan 0.000 0.444 558 V N -0.047 119.837 119.914 -0.050 0.000 2.307 558 V HA -0.212 3.923 4.120 0.024 0.000 0.245 558 V C 3.057 179.117 176.094 -0.057 0.000 1.045 558 V CA 1.829 64.097 62.300 -0.054 0.000 1.024 558 V CB -1.202 30.535 31.823 -0.143 0.000 0.651 558 V HN 0.582 nan 8.190 nan 0.000 0.449 559 A N -0.158 122.616 122.820 -0.076 0.000 1.908 559 A HA -0.287 4.047 4.320 0.024 0.000 0.218 559 A C 2.346 179.911 177.584 -0.033 0.000 1.181 559 A CA 2.273 54.274 52.037 -0.060 0.000 0.627 559 A CB -0.522 18.439 19.000 -0.065 0.000 0.818 559 A HN 0.530 nan 8.150 nan 0.000 0.445 560 K N -0.423 119.965 120.400 -0.019 0.000 2.057 560 K HA -0.193 4.141 4.320 0.024 0.000 0.207 560 K C 1.457 178.061 176.600 0.008 0.000 1.049 560 K CA 1.621 57.907 56.287 -0.002 0.000 0.931 560 K CB -0.216 32.290 32.500 0.009 0.000 0.714 560 K HN 0.412 nan 8.250 nan 0.000 0.440 561 N N 0.726 119.435 118.700 0.014 0.000 2.381 561 N HA -0.093 4.662 4.740 0.024 0.000 0.182 561 N C 1.289 176.802 175.510 0.005 0.000 1.025 561 N CA 0.831 53.896 53.050 0.025 0.000 0.888 561 N CB 0.071 38.585 38.487 0.045 0.000 0.965 561 N HN 0.268 nan 8.380 nan 0.000 0.438 562 L N -0.925 120.289 121.223 -0.015 0.000 2.607 562 L HA 0.265 4.619 4.340 0.024 0.000 0.228 562 L C 1.006 177.862 176.870 -0.023 0.000 1.123 562 L CA -0.072 54.750 54.840 -0.031 0.000 0.890 562 L CB -0.083 41.942 42.059 -0.057 0.000 1.103 562 L HN 0.065 nan 8.230 nan 0.000 0.468 563 G N 1.460 110.253 108.800 -0.013 0.000 2.225 563 G HA2 -0.291 3.684 3.960 0.024 0.000 0.267 563 G HA3 -0.291 3.684 3.960 0.024 0.000 0.267 563 G C 0.113 175.005 174.900 -0.013 0.000 1.024 563 G CA 0.143 45.238 45.100 -0.008 0.000 0.784 563 G HN 0.336 nan 8.290 nan 0.000 0.507 564 I N -0.044 120.513 120.570 -0.021 0.000 2.437 564 I HA 0.433 4.617 4.170 0.024 0.000 0.298 564 I C 0.371 176.474 176.117 -0.025 0.000 0.984 564 I CA -0.711 60.575 61.300 -0.024 0.000 1.214 564 I CB 1.799 39.778 38.000 -0.035 0.000 1.365 564 I HN 0.232 nan 8.210 nan 0.000 0.469 565 E N 6.659 126.846 120.200 -0.021 0.000 2.151 565 E HA 0.431 4.796 4.350 0.024 0.000 0.275 565 E C -1.153 175.430 176.600 -0.029 0.000 0.936 565 E CA -0.717 55.669 56.400 -0.023 0.000 0.777 565 E CB 1.312 31.003 29.700 -0.016 0.000 1.108 565 E HN 0.486 nan 8.360 nan 0.000 0.401 566 L N 3.630 124.830 121.223 -0.038 0.000 2.456 566 L HA 0.155 4.509 4.340 0.024 0.000 0.272 566 L C 1.017 177.864 176.870 -0.039 0.000 1.189 566 L CA -0.263 54.549 54.840 -0.047 0.000 0.846 566 L CB 0.566 42.587 42.059 -0.062 0.000 1.111 566 L HN 0.694 nan 8.230 nan 0.000 0.475 567 T N -2.492 112.039 114.554 -0.038 0.000 2.828 567 T HA 0.076 4.440 4.350 0.024 0.000 0.290 567 T C 0.763 175.440 174.700 -0.038 0.000 1.019 567 T CA -0.822 61.258 62.100 -0.032 0.000 1.031 567 T CB 1.085 69.937 68.868 -0.027 0.000 1.001 567 T HN 0.503 nan 8.240 nan 0.000 0.531 568 D N 0.572 120.953 120.400 -0.031 0.000 2.149 568 D HA -0.088 4.566 4.640 0.024 0.000 0.198 568 D C 1.601 177.875 176.300 -0.043 0.000 0.990 568 D CA 1.149 55.129 54.000 -0.034 0.000 0.839 568 D CB -0.280 40.505 40.800 -0.025 0.000 0.948 568 D HN 0.602 nan 8.370 nan 0.000 0.460 569 D N 0.631 121.006 120.400 -0.041 0.000 2.117 569 D HA -0.132 4.522 4.640 0.024 0.000 0.197 569 D C 2.126 178.377 176.300 -0.083 0.000 0.987 569 D CA 0.826 54.796 54.000 -0.050 0.000 0.829 569 D CB -0.272 40.507 40.800 -0.035 0.000 0.961 569 D HN 0.339 nan 8.370 nan 0.000 0.460 570 Q N -0.167 119.580 119.800 -0.088 0.000 2.119 570 Q HA -0.023 4.332 4.340 0.024 0.000 0.201 570 Q C 2.379 178.297 176.000 -0.136 0.000 0.972 570 Q CA 0.552 56.276 55.803 -0.131 0.000 0.847 570 Q CB -0.059 28.616 28.738 -0.105 0.000 0.903 570 Q HN 0.317 nan 8.270 nan 0.000 0.433 571 L N 0.752 121.917 121.223 -0.096 0.000 2.265 571 L HA -0.143 4.211 4.340 0.024 0.000 0.215 571 L C 1.233 178.051 176.870 -0.086 0.000 1.117 571 L CA 0.530 55.319 54.840 -0.085 0.000 0.782 571 L CB -0.148 41.876 42.059 -0.059 0.000 0.914 571 L HN 0.257 nan 8.230 nan 0.000 0.441 572 N N -0.334 118.312 118.700 -0.089 0.000 2.236 572 N HA 0.224 4.979 4.740 0.024 0.000 0.196 572 N C 0.361 175.811 175.510 -0.100 0.000 1.114 572 N CA 0.028 53.031 53.050 -0.078 0.000 0.859 572 N CB 0.532 38.984 38.487 -0.057 0.000 0.982 572 N HN 0.202 nan 8.380 nan 0.000 0.493 573 I N 1.533 122.008 120.570 -0.158 0.000 2.683 573 I HA -0.083 4.101 4.170 0.024 0.000 0.286 573 I C 1.249 177.278 176.117 -0.147 0.000 1.175 573 I CA 0.273 61.451 61.300 -0.203 0.000 1.429 573 I CB 0.454 38.203 38.000 -0.420 0.000 1.371 573 I HN -0.027 nan 8.210 nan 0.000 0.569 574 T N 6.411 120.908 114.554 -0.095 0.000 2.897 574 T HA 0.370 4.734 4.350 0.024 0.000 0.294 574 T C -2.205 172.464 174.700 -0.051 0.000 1.004 574 T CA -1.509 60.558 62.100 -0.055 0.000 1.106 574 T CB 1.007 69.861 68.868 -0.023 0.000 0.949 574 T HN 0.277 nan 8.240 nan 0.000 0.520 575 P HA 0.295 nan 4.420 nan 0.000 0.272 575 P C -2.345 174.973 177.300 0.030 0.000 1.223 575 P CA -1.323 61.768 63.100 -0.015 0.000 0.784 575 P CB -0.474 31.227 31.700 0.001 0.000 0.923 576 P HA 0.204 nan 4.420 nan 0.000 0.272 576 P C -2.478 174.878 177.300 0.092 0.000 1.230 576 P CA -1.267 61.901 63.100 0.114 0.000 0.788 576 P CB -0.964 30.853 31.700 0.195 0.000 0.949 577 P HA 0.105 nan 4.420 nan 0.000 0.270 577 P C -0.236 177.115 177.300 0.085 0.000 1.223 577 P CA 0.123 63.271 63.100 0.079 0.000 0.785 577 P CB 0.203 31.950 31.700 0.078 0.000 0.923 578 D N -0.162 120.280 120.400 0.070 0.000 2.364 578 D HA 0.045 4.699 4.640 0.024 0.000 0.236 578 D C -0.073 176.276 176.300 0.082 0.000 1.221 578 D CA 0.161 54.200 54.000 0.064 0.000 0.891 578 D CB 0.189 41.022 40.800 0.053 0.000 1.190 578 D HN -0.022 nan 8.370 nan 0.000 0.449 579 V N 2.228 122.183 119.914 0.068 0.000 2.334 579 V HA 0.077 4.212 4.120 0.024 0.000 0.267 579 V C 0.156 176.343 176.094 0.155 0.000 1.040 579 V CA -0.497 61.875 62.300 0.119 0.000 0.866 579 V CB -0.168 31.641 31.823 -0.024 0.000 1.019 579 V HN 0.590 nan 8.190 nan 0.000 0.468 580 N N 4.421 123.224 118.700 0.172 0.000 2.716 580 N HA -0.228 4.526 4.740 0.024 0.000 0.250 580 N C 1.147 176.714 175.510 0.095 0.000 1.033 580 N CA 1.129 54.261 53.050 0.137 0.000 0.727 580 N CB -0.906 37.699 38.487 0.196 0.000 0.950 580 N HN 1.288 nan 8.380 nan 0.000 0.541 581 G N -2.855 105.990 108.800 0.075 0.000 2.179 581 G HA2 -0.304 3.671 3.960 0.024 0.000 0.260 581 G HA3 -0.304 3.671 3.960 0.024 0.000 0.260 581 G C -0.142 174.788 174.900 0.050 0.000 0.977 581 G CA 0.193 45.326 45.100 0.054 0.000 0.641 581 G HN 0.310 nan 8.290 nan 0.000 0.533 582 L N 0.419 121.676 121.223 0.056 0.000 2.292 582 L HA 0.552 4.906 4.340 0.024 0.000 0.284 582 L C 1.241 178.128 176.870 0.029 0.000 1.065 582 L CA 0.057 54.922 54.840 0.041 0.000 0.806 582 L CB 1.455 43.540 42.059 0.043 0.000 1.175 582 L HN 0.199 nan 8.230 nan 0.000 0.431 583 K N 2.768 123.180 120.400 0.020 0.000 2.358 583 K HA 0.176 4.510 4.320 0.024 0.000 0.200 583 K C -0.346 176.251 176.600 -0.005 0.000 1.030 583 K CA 0.012 56.308 56.287 0.015 0.000 1.097 583 K CB 0.533 33.042 32.500 0.015 0.000 0.862 583 K HN 0.605 nan 8.250 nan 0.000 0.534 584 K N -0.293 120.100 120.400 -0.013 0.000 2.642 584 K HA 0.265 4.599 4.320 0.024 0.000 0.290 584 K C -2.122 174.464 176.600 -0.023 0.000 1.006 584 K CA -1.001 55.263 56.287 -0.038 0.000 0.869 584 K CB 1.468 33.925 32.500 -0.071 0.000 1.499 584 K HN -0.240 nan 8.250 nan 0.000 0.403 585 D N 1.460 121.840 120.400 -0.033 0.000 2.602 585 D HA 0.306 4.960 4.640 0.024 0.000 0.245 585 D C -2.200 174.086 176.300 -0.024 0.000 1.325 585 D CA -2.045 51.953 54.000 -0.003 0.000 0.952 585 D CB 2.224 43.044 40.800 0.034 0.000 1.317 585 D HN 0.254 nan 8.370 nan 0.000 0.577 586 P HA -0.059 nan 4.420 nan 0.000 0.230 586 P C 1.186 178.479 177.300 -0.011 0.000 1.158 586 P CA 0.651 63.724 63.100 -0.045 0.000 0.769 586 P CB 0.166 31.849 31.700 -0.028 0.000 0.807 587 S N -1.074 114.653 115.700 0.044 0.000 2.555 587 S HA -0.016 4.468 4.470 0.024 0.000 0.230 587 S C 1.611 176.295 174.600 0.139 0.000 0.978 587 S CA 0.590 58.851 58.200 0.102 0.000 0.934 587 S CB -1.322 61.969 63.200 0.150 0.000 0.766 587 S HN 0.146 nan 8.310 nan 0.000 0.533 588 L N 1.167 122.431 121.223 0.067 0.000 2.492 588 L HA 0.208 4.562 4.340 0.024 0.000 0.223 588 L C 1.442 178.187 176.870 -0.208 0.000 1.132 588 L CA 0.090 54.953 54.840 0.038 0.000 0.850 588 L CB -0.310 41.761 42.059 0.018 0.000 0.966 588 L HN 0.319 nan 8.230 nan 0.000 0.454 589 S N -0.385 115.188 115.700 -0.211 0.000 2.586 589 S HA 0.314 4.799 4.470 0.024 0.000 0.274 589 S C 1.040 175.512 174.600 -0.213 0.000 1.281 589 S CA -0.628 57.392 58.200 -0.301 0.000 1.035 589 S CB 1.405 64.436 63.200 -0.281 0.000 0.962 589 S HN 0.160 nan 8.310 nan 0.000 0.512 590 L N 2.965 123.981 121.223 -0.344 0.000 2.156 590 L HA 0.045 4.399 4.340 0.024 0.000 0.208 590 L C 0.792 177.362 176.870 -0.500 0.000 1.095 590 L CA 1.048 55.581 54.840 -0.512 0.000 0.770 590 L CB -0.231 41.197 42.059 -1.052 0.000 0.914 590 L HN 0.756 nan 8.230 nan 0.000 0.439 591 Y N -2.373 117.924 120.300 -0.006 0.000 2.432 591 Y HA 0.330 4.895 4.550 0.024 0.000 0.252 591 Y C 2.111 178.037 175.900 0.043 0.000 1.097 591 Y CA -0.181 57.970 58.100 0.086 0.000 1.250 591 Y CB -0.358 38.185 38.460 0.139 0.000 1.245 591 Y HN -0.051 nan 8.280 nan 0.000 0.522 592 A N 0.561 123.414 122.820 0.056 0.000 1.940 592 A HA -0.044 4.291 4.320 0.024 0.000 0.219 592 A C 0.881 178.501 177.584 0.061 0.000 1.176 592 A CA 1.131 53.175 52.037 0.012 0.000 0.631 592 A CB -0.693 18.252 19.000 -0.091 0.000 0.814 592 A HN 0.288 nan 8.150 nan 0.000 0.446 593 I N 0.984 121.596 120.570 0.069 0.000 2.354 593 I HA 0.265 4.450 4.170 0.024 0.000 0.286 593 I C -2.516 173.671 176.117 0.117 0.000 1.007 593 I CA -2.263 59.085 61.300 0.081 0.000 1.167 593 I CB 1.681 39.717 38.000 0.059 0.000 1.320 593 I HN -0.000 nan 8.210 nan 0.000 0.458 594 P HA 0.080 nan 4.420 nan 0.000 0.267 594 P C -0.575 176.797 177.300 0.121 0.000 1.205 594 P CA 0.081 63.273 63.100 0.152 0.000 0.765 594 P CB 0.412 32.189 31.700 0.130 0.000 0.828 595 D N 0.964 121.444 120.400 0.133 0.000 2.822 595 D HA 0.133 4.787 4.640 0.024 0.000 0.327 595 D C 0.425 176.784 176.300 0.098 0.000 1.577 595 D CA -0.524 53.536 54.000 0.100 0.000 0.785 595 D CB -0.485 40.370 40.800 0.092 0.000 1.199 595 D HN 0.318 nan 8.370 nan 0.000 0.443 596 G N 0.172 109.039 108.800 0.112 0.000 2.432 596 G HA2 0.349 4.323 3.960 0.024 0.000 0.239 596 G HA3 0.349 4.323 3.960 0.024 0.000 0.239 596 G C -0.617 174.321 174.900 0.062 0.000 1.291 596 G CA -0.010 45.150 45.100 0.101 0.000 0.863 596 G HN 0.212 nan 8.290 nan 0.000 0.560 597 D N 0.792 121.221 120.400 0.049 0.000 2.736 597 D HA 0.182 4.837 4.640 0.024 0.000 0.243 597 D C 0.947 177.258 176.300 0.018 0.000 1.304 597 D CA -0.555 53.460 54.000 0.024 0.000 0.934 597 D CB 1.775 42.583 40.800 0.012 0.000 1.382 597 D HN 0.304 nan 8.370 nan 0.000 0.571 598 V N 1.867 121.785 119.914 0.006 0.000 3.406 598 V HA 0.225 4.360 4.120 0.024 0.000 0.263 598 V C 1.040 177.115 176.094 -0.033 0.000 1.172 598 V CA 0.234 62.532 62.300 -0.003 0.000 1.140 598 V CB -0.677 31.140 31.823 -0.010 0.000 0.784 598 V HN 0.404 nan 8.190 nan 0.000 0.467 599 K N 1.244 121.618 120.400 -0.044 0.000 2.451 599 K HA 0.389 4.724 4.320 0.024 0.000 0.280 599 K C 1.235 177.790 176.600 -0.074 0.000 1.020 599 K CA 1.006 57.244 56.287 -0.082 0.000 1.008 599 K CB 0.197 32.654 32.500 -0.070 0.000 0.917 599 K HN 0.700 nan 8.250 nan 0.000 0.478 600 G N 3.092 111.810 108.800 -0.136 0.000 2.195 600 G HA2 -0.217 3.758 3.960 0.024 0.000 0.246 600 G HA3 -0.217 3.758 3.960 0.024 0.000 0.246 600 G C 0.111 175.048 174.900 0.062 0.000 0.984 600 G CA -0.190 44.904 45.100 -0.009 0.000 0.633 600 G HN 0.565 nan 8.290 nan 0.000 0.525 601 R N -0.266 120.240 120.500 0.010 0.000 2.738 601 R HA 0.681 5.035 4.340 0.024 0.000 0.275 601 R C 0.098 176.453 176.300 0.092 0.000 1.121 601 R CA -0.045 56.094 56.100 0.066 0.000 1.207 601 R CB 0.843 31.174 30.300 0.052 0.000 1.141 601 R HN 0.670 nan 8.270 nan 0.000 0.571 602 V N 0.358 120.345 119.914 0.122 0.000 2.841 602 V HA 0.452 4.587 4.120 0.024 0.000 0.310 602 V C -1.118 175.042 176.094 0.110 0.000 1.090 602 V CA -0.726 61.660 62.300 0.143 0.000 0.930 602 V CB 2.477 34.410 31.823 0.184 0.000 1.014 602 V HN 0.357 nan 8.190 nan 0.000 0.425 603 V N 5.451 125.424 119.914 0.098 0.000 2.555 603 V HA 0.827 4.962 4.120 0.024 0.000 0.302 603 V C 0.456 176.606 176.094 0.095 0.000 1.038 603 V CA -0.209 62.139 62.300 0.081 0.000 0.887 603 V CB 1.734 33.589 31.823 0.054 0.000 0.991 603 V HN 1.182 nan 8.190 nan 0.000 0.434 604 A N 5.544 128.428 122.820 0.107 0.000 2.331 604 A HA 0.785 5.120 4.320 0.024 0.000 0.283 604 A C -0.459 177.144 177.584 0.032 0.000 1.142 604 A CA -0.304 51.786 52.037 0.087 0.000 0.812 604 A CB 0.157 19.240 19.000 0.138 0.000 1.074 604 A HN 0.762 nan 8.150 nan 0.000 0.497 605 I N 3.432 124.014 120.570 0.019 0.000 2.354 605 I HA 0.207 4.392 4.170 0.024 0.000 0.286 605 I C -0.659 175.468 176.117 0.018 0.000 1.007 605 I CA -0.211 61.102 61.300 0.020 0.000 1.167 605 I CB 1.323 39.344 38.000 0.035 0.000 1.320 605 I HN 0.484 nan 8.210 nan 0.000 0.458 606 L N 7.268 128.495 121.223 0.006 0.000 2.261 606 L HA 0.430 4.785 4.340 0.024 0.000 0.289 606 L C -0.003 176.967 176.870 0.165 0.000 1.059 606 L CA -0.358 54.546 54.840 0.107 0.000 0.816 606 L CB 0.505 42.502 42.059 -0.104 0.000 1.191 606 L HN 0.441 nan 8.230 nan 0.000 0.431 607 L N 3.558 124.919 121.223 0.230 0.000 2.439 607 L HA 0.349 4.704 4.340 0.024 0.000 0.259 607 L C 0.091 177.124 176.870 0.272 0.000 1.129 607 L CA -0.488 54.436 54.840 0.140 0.000 0.803 607 L CB 1.266 43.315 42.059 -0.017 0.000 1.161 607 L HN 0.692 nan 8.230 nan 0.000 0.462 608 N N -1.976 116.786 118.700 0.104 0.000 2.701 608 N HA 0.219 4.973 4.740 0.024 0.000 0.290 608 N C -0.281 175.173 175.510 -0.093 0.000 1.338 608 N CA -0.769 52.382 53.050 0.167 0.000 0.799 608 N CB 0.693 39.287 38.487 0.180 0.000 1.491 608 N HN 0.536 nan 8.380 nan 0.000 0.540 609 D N -1.762 118.635 120.400 -0.005 0.000 2.363 609 D HA -0.069 4.586 4.640 0.024 0.000 0.226 609 D C -0.397 175.860 176.300 -0.072 0.000 1.020 609 D CA 0.685 54.619 54.000 -0.110 0.000 0.892 609 D CB -0.114 40.705 40.800 0.033 0.000 0.900 609 D HN 0.766 nan 8.370 nan 0.000 0.531 610 E N 0.548 120.723 120.200 -0.041 0.000 3.428 610 E HA 0.200 4.565 4.350 0.024 0.000 0.286 610 E C -1.161 175.423 176.600 -0.027 0.000 1.204 610 E CA -0.376 56.002 56.400 -0.035 0.000 1.015 610 E CB 0.877 30.567 29.700 -0.017 0.000 1.370 610 E HN -0.134 nan 8.360 nan 0.000 0.391 611 V N 2.110 121.999 119.914 -0.041 0.000 2.763 611 V HA 0.021 4.156 4.120 0.024 0.000 0.306 611 V C 0.999 177.077 176.094 -0.027 0.000 1.059 611 V CA 0.311 62.594 62.300 -0.027 0.000 1.138 611 V CB 0.807 32.607 31.823 -0.038 0.000 0.940 611 V HN 0.506 nan 8.190 nan 0.000 0.489 612 R N 3.183 123.669 120.500 -0.024 0.000 2.413 612 R HA 0.023 4.377 4.340 0.024 0.000 0.333 612 R C 1.579 177.858 176.300 -0.035 0.000 1.074 612 R CA 0.491 56.573 56.100 -0.031 0.000 0.982 612 R CB 0.266 30.544 30.300 -0.037 0.000 0.981 612 R HN 1.026 nan 8.270 nan 0.000 0.452 613 S N 3.274 118.955 115.700 -0.032 0.000 2.382 613 S HA -0.214 4.270 4.470 0.024 0.000 0.228 613 S C 1.993 176.574 174.600 -0.031 0.000 1.027 613 S CA 0.951 59.133 58.200 -0.030 0.000 0.991 613 S CB -0.094 63.090 63.200 -0.027 0.000 0.823 613 S HN 0.671 nan 8.310 nan 0.000 0.469 614 A N 2.085 124.883 122.820 -0.036 0.000 1.972 614 A HA -0.119 4.216 4.320 0.024 0.000 0.219 614 A C 1.960 179.513 177.584 -0.053 0.000 1.169 614 A CA 1.683 53.696 52.037 -0.039 0.000 0.635 614 A CB -0.760 18.215 19.000 -0.042 0.000 0.810 614 A HN 0.477 nan 8.150 nan 0.000 0.446 615 D N -0.318 120.042 120.400 -0.068 0.000 2.097 615 D HA -0.086 4.568 4.640 0.024 0.000 0.197 615 D C 1.910 178.176 176.300 -0.057 0.000 0.984 615 D CA 0.733 54.674 54.000 -0.098 0.000 0.826 615 D CB -0.305 40.426 40.800 -0.115 0.000 0.973 615 D HN 0.346 nan 8.370 nan 0.000 0.460 616 L N 0.520 121.722 121.223 -0.035 0.000 2.141 616 L HA -0.085 4.269 4.340 0.024 0.000 0.209 616 L C 2.320 179.186 176.870 -0.007 0.000 1.094 616 L CA 0.601 55.433 54.840 -0.013 0.000 0.763 616 L CB -0.147 41.904 42.059 -0.014 0.000 0.908 616 L HN 0.089 nan 8.230 nan 0.000 0.437 617 L N -0.628 120.587 121.223 -0.014 0.000 2.046 617 L HA -0.201 4.154 4.340 0.024 0.000 0.208 617 L C 2.799 179.669 176.870 -0.001 0.000 1.077 617 L CA 1.247 56.083 54.840 -0.007 0.000 0.747 617 L CB -0.619 41.434 42.059 -0.011 0.000 0.896 617 L HN 0.268 nan 8.230 nan 0.000 0.432 618 A N 0.211 123.026 122.820 -0.007 0.000 1.898 618 A HA -0.160 4.174 4.320 0.024 0.000 0.216 618 A C 2.170 179.772 177.584 0.031 0.000 1.181 618 A CA 1.381 53.420 52.037 0.004 0.000 0.620 618 A CB -0.574 18.416 19.000 -0.018 0.000 0.819 618 A HN 0.329 nan 8.150 nan 0.000 0.442 619 I N -0.311 120.280 120.570 0.035 0.000 2.142 619 I HA -0.260 3.924 4.170 0.024 0.000 0.240 619 I C 2.385 178.533 176.117 0.052 0.000 1.078 619 I CA 1.275 62.620 61.300 0.074 0.000 1.343 619 I CB -0.384 37.666 38.000 0.084 0.000 1.046 619 I HN 0.266 nan 8.210 nan 0.000 0.405 620 L N 0.348 121.592 121.223 0.034 0.000 2.093 620 L HA -0.200 4.154 4.340 0.024 0.000 0.208 620 L C 2.566 179.450 176.870 0.024 0.000 1.085 620 L CA 1.331 56.188 54.840 0.030 0.000 0.755 620 L CB -0.511 41.562 42.059 0.023 0.000 0.904 620 L HN 0.225 nan 8.230 nan 0.000 0.435 621 K N 0.126 120.538 120.400 0.020 0.000 2.167 621 K HA -0.074 4.261 4.320 0.024 0.000 0.203 621 K C 2.147 178.756 176.600 0.015 0.000 1.052 621 K CA 0.907 57.203 56.287 0.015 0.000 0.956 621 K CB 0.064 32.571 32.500 0.011 0.000 0.735 621 K HN 0.251 nan 8.250 nan 0.000 0.451 622 A N 1.187 124.021 122.820 0.024 0.000 1.898 622 A HA -0.099 4.235 4.320 0.024 0.000 0.216 622 A C 2.012 179.602 177.584 0.010 0.000 1.181 622 A CA 1.017 53.068 52.037 0.023 0.000 0.620 622 A CB -0.499 18.527 19.000 0.044 0.000 0.819 622 A HN 0.243 nan 8.150 nan 0.000 0.442 623 L N -0.677 120.553 121.223 0.013 0.000 2.017 623 L HA -0.185 4.170 4.340 0.024 0.000 0.208 623 L C 2.689 179.543 176.870 -0.028 0.000 1.073 623 L CA 1.609 56.444 54.840 -0.007 0.000 0.745 623 L CB -0.473 41.590 42.059 0.008 0.000 0.894 623 L HN 0.321 nan 8.230 nan 0.000 0.432 624 K N 0.557 120.951 120.400 -0.011 0.000 2.097 624 K HA -0.160 4.175 4.320 0.024 0.000 0.206 624 K C 2.063 178.648 176.600 -0.025 0.000 1.049 624 K CA 1.481 57.758 56.287 -0.016 0.000 0.933 624 K CB -0.107 32.396 32.500 0.005 0.000 0.717 624 K HN 0.282 nan 8.250 nan 0.000 0.442 625 A N 1.132 123.943 122.820 -0.016 0.000 2.019 625 A HA -0.114 4.221 4.320 0.024 0.000 0.219 625 A C 1.612 179.180 177.584 -0.026 0.000 1.164 625 A CA 1.388 53.416 52.037 -0.015 0.000 0.644 625 A CB -0.053 18.943 19.000 -0.006 0.000 0.805 625 A HN 0.134 nan 8.150 nan 0.000 0.449 626 K N -1.479 118.898 120.400 -0.037 0.000 2.373 626 K HA 0.242 4.576 4.320 0.024 0.000 0.202 626 K C 0.921 177.472 176.600 -0.082 0.000 1.025 626 K CA 0.564 56.823 56.287 -0.047 0.000 1.115 626 K CB 0.023 32.501 32.500 -0.036 0.000 0.858 626 K HN 0.725 nan 8.250 nan 0.000 0.525 627 G N 1.431 110.166 108.800 -0.109 0.000 2.160 627 G HA2 -0.234 3.740 3.960 0.024 0.000 0.251 627 G HA3 -0.234 3.740 3.960 0.024 0.000 0.251 627 G C 0.036 174.726 174.900 -0.350 0.000 1.008 627 G CA 0.230 45.216 45.100 -0.190 0.000 0.724 627 G HN 0.115 nan 8.290 nan 0.000 0.514 628 V N 0.993 120.750 119.914 -0.262 0.000 2.432 628 V HA 0.461 4.595 4.120 0.024 0.000 0.275 628 V C 0.803 176.740 176.094 -0.262 0.000 1.043 628 V CA -0.722 61.420 62.300 -0.264 0.000 0.925 628 V CB 0.939 32.703 31.823 -0.099 0.000 0.985 628 V HN 0.453 nan 8.190 nan 0.000 0.466 629 H N 1.979 121.061 119.070 0.020 0.000 2.508 629 H HA 0.739 5.310 4.556 0.024 0.000 0.358 629 H C 0.255 175.603 175.328 0.033 0.000 1.212 629 H CA 0.097 56.160 56.048 0.023 0.000 1.356 629 H CB 1.147 30.924 29.762 0.026 0.000 1.525 629 H HN 0.833 nan 8.280 nan 0.000 0.578 630 A N 1.155 124.080 122.820 0.174 0.000 2.401 630 A HA 0.551 4.885 4.320 0.024 0.000 0.310 630 A C -1.065 176.575 177.584 0.093 0.000 1.075 630 A CA -1.059 51.042 52.037 0.108 0.000 0.746 630 A CB 1.055 20.100 19.000 0.075 0.000 1.277 630 A HN 0.793 nan 8.150 nan 0.000 0.425 631 K N 2.252 122.700 120.400 0.080 0.000 2.463 631 K HA 0.658 4.993 4.320 0.024 0.000 0.255 631 K C -1.504 175.122 176.600 0.043 0.000 0.942 631 K CA -0.475 55.850 56.287 0.062 0.000 0.814 631 K CB 1.562 34.107 32.500 0.075 0.000 1.122 631 K HN 0.493 nan 8.250 nan 0.000 0.425 632 L N 5.081 126.319 121.223 0.025 0.000 2.278 632 L HA 0.363 4.717 4.340 0.024 0.000 0.287 632 L C -0.436 176.430 176.870 -0.007 0.000 1.072 632 L CA -0.724 54.122 54.840 0.010 0.000 0.819 632 L CB 0.231 42.289 42.059 -0.003 0.000 1.176 632 L HN 0.515 nan 8.230 nan 0.000 0.435 633 L N 3.790 125.006 121.223 -0.010 0.000 2.334 633 L HA 0.593 4.948 4.340 0.024 0.000 0.273 633 L C -0.796 175.975 176.870 -0.166 0.000 1.013 633 L CA -0.745 54.039 54.840 -0.095 0.000 0.816 633 L CB 1.883 43.902 42.059 -0.068 0.000 1.278 633 L HN 0.402 nan 8.230 nan 0.000 0.431 634 Y N -0.397 119.474 120.300 -0.715 0.000 2.900 634 Y HA 0.188 4.752 4.550 0.024 0.000 0.318 634 Y C 0.821 175.978 175.900 -1.238 0.000 1.457 634 Y CA -0.807 56.766 58.100 -0.879 0.000 1.082 634 Y CB 1.586 39.848 38.460 -0.330 0.000 1.419 634 Y HN 0.553 nan 8.280 nan 0.000 0.459 635 S N 0.629 115.453 115.700 -1.459 0.000 2.593 635 S HA 0.247 4.731 4.470 0.024 0.000 0.217 635 S C 0.033 174.363 174.600 -0.450 0.000 0.966 635 S CA 0.380 58.090 58.200 -0.817 0.000 0.914 635 S CB -0.215 62.639 63.200 -0.577 0.000 0.776 635 S HN 0.609 nan 8.310 nan 0.000 0.523 636 R N -1.228 119.077 120.500 -0.326 0.000 2.752 636 R HA 0.614 4.968 4.340 0.024 0.000 0.271 636 R C -0.786 175.506 176.300 -0.014 0.000 1.026 636 R CA -1.092 54.946 56.100 -0.103 0.000 0.901 636 R CB 0.488 30.766 30.300 -0.036 0.000 1.243 636 R HN -0.075 nan 8.270 nan 0.000 0.463 637 M N 0.231 119.827 119.600 -0.007 0.000 2.012 637 M HA 0.493 4.988 4.480 0.024 0.000 0.248 637 M C 1.041 177.356 176.300 0.026 0.000 1.238 637 M CA 0.973 56.276 55.300 0.005 0.000 0.980 637 M CB 0.446 33.041 32.600 -0.007 0.000 1.346 637 M HN 1.060 nan 8.290 nan 0.000 0.511 638 G N 0.872 109.679 108.800 0.011 0.000 2.662 638 G HA2 -0.142 3.832 3.960 0.024 0.000 0.236 638 G HA3 -0.142 3.832 3.960 0.024 0.000 0.236 638 G C -0.816 174.079 174.900 -0.009 0.000 1.212 638 G CA -0.391 44.712 45.100 0.005 0.000 0.968 638 G HN 0.637 nan 8.290 nan 0.000 0.576 639 E N -0.819 119.370 120.200 -0.018 0.000 2.369 639 E HA 0.619 4.984 4.350 0.024 0.000 0.270 639 E C -0.367 176.176 176.600 -0.095 0.000 0.909 639 E CA -0.541 55.828 56.400 -0.052 0.000 0.775 639 E CB 2.941 32.617 29.700 -0.040 0.000 1.270 639 E HN 1.199 nan 8.360 nan 0.000 0.445 640 V N -1.824 117.997 119.914 -0.155 0.000 3.074 640 V HA 0.718 4.853 4.120 0.024 0.000 0.314 640 V C -0.468 175.547 176.094 -0.132 0.000 1.117 640 V CA -0.731 61.447 62.300 -0.203 0.000 1.014 640 V CB 1.936 33.510 31.823 -0.416 0.000 1.057 640 V HN 0.641 nan 8.190 nan 0.000 0.438 641 T N 2.378 116.867 114.554 -0.109 0.000 2.779 641 T HA 0.774 5.139 4.350 0.024 0.000 0.280 641 T C 0.307 174.965 174.700 -0.070 0.000 0.987 641 T CA 0.230 62.286 62.100 -0.073 0.000 0.966 641 T CB 1.320 70.159 68.868 -0.049 0.000 0.933 641 T HN 1.338 nan 8.240 nan 0.000 0.442 642 A N 2.449 125.234 122.820 -0.059 0.000 2.327 642 A HA 0.348 4.683 4.320 0.024 0.000 0.255 642 A C 1.628 179.190 177.584 -0.036 0.000 1.099 642 A CA -0.314 51.694 52.037 -0.049 0.000 0.801 642 A CB 0.034 19.009 19.000 -0.042 0.000 1.062 642 A HN 0.925 nan 8.150 nan 0.000 0.496 643 D N 0.216 120.597 120.400 -0.031 0.000 2.172 643 D HA -0.232 4.423 4.640 0.024 0.000 0.196 643 D C 0.691 176.978 176.300 -0.022 0.000 0.999 643 D CA 1.836 55.821 54.000 -0.024 0.000 0.856 643 D CB -0.364 40.422 40.800 -0.022 0.000 0.934 643 D HN 0.622 nan 8.370 nan 0.000 0.453 644 D N -1.540 118.846 120.400 -0.023 0.000 2.342 644 D HA 0.197 4.851 4.640 0.024 0.000 0.221 644 D C 1.602 177.891 176.300 -0.019 0.000 1.101 644 D CA 0.454 54.442 54.000 -0.020 0.000 0.837 644 D CB -0.083 40.705 40.800 -0.019 0.000 0.938 644 D HN 0.433 nan 8.370 nan 0.000 0.508 645 G N -0.071 108.715 108.800 -0.022 0.000 2.176 645 G HA2 -0.262 3.712 3.960 0.024 0.000 0.253 645 G HA3 -0.262 3.712 3.960 0.024 0.000 0.253 645 G C 0.403 175.288 174.900 -0.024 0.000 0.979 645 G CA 0.291 45.378 45.100 -0.022 0.000 0.641 645 G HN 0.446 nan 8.290 nan 0.000 0.530 646 T N 1.126 115.664 114.554 -0.026 0.000 2.901 646 T HA 0.441 4.805 4.350 0.024 0.000 0.301 646 T C 0.590 175.270 174.700 -0.034 0.000 1.012 646 T CA -0.019 62.066 62.100 -0.026 0.000 1.135 646 T CB 2.271 71.124 68.868 -0.025 0.000 0.936 646 T HN 0.417 nan 8.240 nan 0.000 0.539 647 V N 5.203 125.099 119.914 -0.031 0.000 2.385 647 V HA 0.224 4.358 4.120 0.024 0.000 0.269 647 V C -0.285 175.786 176.094 -0.039 0.000 1.043 647 V CA -0.715 61.563 62.300 -0.037 0.000 0.906 647 V CB 0.777 32.584 31.823 -0.028 0.000 0.995 647 V HN 0.551 nan 8.190 nan 0.000 0.467 648 L N 9.286 130.475 121.223 -0.056 0.000 2.280 648 L HA 0.543 4.897 4.340 0.024 0.000 0.287 648 L C -2.112 174.725 176.870 -0.056 0.000 1.023 648 L CA -2.451 52.356 54.840 -0.056 0.000 0.819 648 L CB 1.439 43.452 42.059 -0.078 0.000 1.212 648 L HN 0.418 nan 8.230 nan 0.000 0.420 649 P HA 0.324 nan 4.420 nan 0.000 0.279 649 P C -0.441 176.842 177.300 -0.029 0.000 1.239 649 P CA -0.325 62.758 63.100 -0.029 0.000 0.789 649 P CB 1.260 32.950 31.700 -0.015 0.000 0.933 650 I N 1.897 122.451 120.570 -0.027 0.000 2.353 650 I HA 0.269 4.454 4.170 0.024 0.000 0.293 650 I C 1.506 177.615 176.117 -0.014 0.000 0.992 650 I CA -0.431 60.855 61.300 -0.023 0.000 1.268 650 I CB 1.568 39.562 38.000 -0.011 0.000 1.387 650 I HN 0.359 nan 8.210 nan 0.000 0.478 651 A N 5.012 127.826 122.820 -0.011 0.000 1.935 651 A HA 0.637 4.971 4.320 0.024 0.000 0.214 651 A C 0.916 178.498 177.584 -0.002 0.000 1.178 651 A CA 1.109 53.146 52.037 -0.000 0.000 0.640 651 A CB 0.057 19.065 19.000 0.013 0.000 0.825 651 A HN 0.810 nan 8.150 nan 0.000 0.447 652 A N -1.894 120.916 122.820 -0.017 0.000 2.566 652 A HA 0.572 4.906 4.320 0.024 0.000 0.290 652 A C -0.089 177.444 177.584 -0.085 0.000 1.071 652 A CA 0.095 52.119 52.037 -0.022 0.000 0.658 652 A CB -0.201 18.812 19.000 0.022 0.000 1.285 652 A HN 0.767 nan 8.150 nan 0.000 0.427 653 T N -1.489 113.011 114.554 -0.090 0.000 2.874 653 T HA 0.563 4.927 4.350 0.024 0.000 0.281 653 T C 0.971 175.621 174.700 -0.084 0.000 0.994 653 T CA -0.001 61.978 62.100 -0.201 0.000 1.015 653 T CB 0.109 68.894 68.868 -0.138 0.000 1.028 653 T HN 0.479 nan 8.240 nan 0.000 0.523 654 F N 0.694 120.661 119.950 0.027 0.000 2.091 654 F HA -0.063 4.479 4.527 0.024 0.000 0.299 654 F C 2.947 178.875 175.800 0.213 0.000 1.103 654 F CA 1.187 59.252 58.000 0.108 0.000 1.228 654 F CB -0.678 38.365 39.000 0.071 0.000 0.984 654 F HN 0.706 nan 8.300 nan 0.000 0.477 655 A N 0.202 123.192 122.820 0.285 0.000 2.016 655 A HA 0.085 4.420 4.320 0.024 0.000 0.217 655 A C 2.409 180.065 177.584 0.121 0.000 1.162 655 A CA 1.251 53.396 52.037 0.180 0.000 0.662 655 A CB -1.368 17.698 19.000 0.110 0.000 0.812 655 A HN 0.394 nan 8.150 nan 0.000 0.450 656 G N -0.613 108.244 108.800 0.096 0.000 2.422 656 G HA2 0.238 4.212 3.960 0.024 0.000 0.218 656 G HA3 0.238 4.212 3.960 0.024 0.000 0.218 656 G C 0.709 175.661 174.900 0.087 0.000 1.140 656 G CA 1.001 46.139 45.100 0.064 0.000 0.775 656 G HN 1.074 nan 8.290 nan 0.000 0.545 657 A N 0.940 123.847 122.820 0.145 0.000 3.159 657 A HA 0.682 5.017 4.320 0.024 0.000 0.330 657 A C -2.600 175.144 177.584 0.266 0.000 1.032 657 A CA -1.151 50.988 52.037 0.170 0.000 0.841 657 A CB 1.235 20.331 19.000 0.161 0.000 1.093 657 A HN 0.138 nan 8.150 nan 0.000 0.478 658 P HA 0.077 nan 4.420 nan 0.000 0.273 658 P C 1.281 178.447 177.300 -0.222 0.000 1.250 658 P CA 0.170 63.252 63.100 -0.029 0.000 0.793 658 P CB 0.797 32.457 31.700 -0.067 0.000 1.011 659 S N 0.305 115.525 115.700 -0.800 0.000 2.469 659 S HA -0.125 4.359 4.470 0.024 0.000 0.238 659 S C 1.803 176.262 174.600 -0.235 0.000 0.998 659 S CA 0.843 58.679 58.200 -0.607 0.000 0.957 659 S CB -1.311 61.411 63.200 -0.797 0.000 0.764 659 S HN 0.340 nan 8.310 nan 0.000 0.514 660 L N 1.766 122.860 121.223 -0.215 0.000 2.127 660 L HA -0.084 4.271 4.340 0.024 0.000 0.211 660 L C 2.871 179.586 176.870 -0.259 0.000 1.089 660 L CA 1.628 56.340 54.840 -0.214 0.000 0.757 660 L CB -1.305 40.601 42.059 -0.255 0.000 0.899 660 L HN 0.622 nan 8.230 nan 0.000 0.434 661 T N -3.213 111.261 114.554 -0.133 0.000 3.107 661 T HA 0.239 4.604 4.350 0.024 0.000 0.249 661 T C 0.318 175.118 174.700 0.166 0.000 1.096 661 T CA 0.102 62.211 62.100 0.016 0.000 1.012 661 T CB -0.416 68.546 68.868 0.158 0.000 0.977 661 T HN 0.153 nan 8.240 nan 0.000 0.527 662 V N -2.887 117.081 119.914 0.089 0.000 3.155 662 V HA 0.581 4.716 4.120 0.024 0.000 0.313 662 V C -0.269 175.872 176.094 0.078 0.000 1.162 662 V CA -0.979 61.397 62.300 0.127 0.000 1.048 662 V CB 2.094 34.008 31.823 0.150 0.000 1.092 662 V HN 0.005 nan 8.190 nan 0.000 0.447 663 D N 0.760 121.207 120.400 0.080 0.000 2.367 663 D HA 0.526 5.180 4.640 0.024 0.000 0.207 663 D C 0.520 176.806 176.300 -0.023 0.000 1.034 663 D CA 1.399 55.419 54.000 0.034 0.000 0.861 663 D CB 1.551 42.394 40.800 0.072 0.000 0.943 663 D HN 1.006 nan 8.370 nan 0.000 0.515 664 A N 0.143 122.966 122.820 0.005 0.000 2.586 664 A HA 0.521 4.855 4.320 0.024 0.000 0.291 664 A C -1.641 175.959 177.584 0.027 0.000 1.062 664 A CA -0.556 51.470 52.037 -0.018 0.000 0.666 664 A CB 1.411 20.387 19.000 -0.040 0.000 1.281 664 A HN -0.101 nan 8.150 nan 0.000 0.421 665 V N 1.110 121.032 119.914 0.013 0.000 2.638 665 V HA 0.611 4.745 4.120 0.024 0.000 0.306 665 V C -0.706 175.392 176.094 0.007 0.000 1.052 665 V CA -0.226 62.097 62.300 0.037 0.000 0.885 665 V CB 1.602 33.465 31.823 0.067 0.000 0.999 665 V HN 0.710 nan 8.190 nan 0.000 0.424 666 I N 4.107 124.690 120.570 0.022 0.000 2.498 666 I HA 0.555 4.740 4.170 0.024 0.000 0.290 666 I C -0.954 175.193 176.117 0.051 0.000 1.032 666 I CA -0.915 60.424 61.300 0.066 0.000 1.073 666 I CB 2.397 40.463 38.000 0.111 0.000 1.251 666 I HN 0.283 nan 8.210 nan 0.000 0.426 667 V N 7.706 127.666 119.914 0.078 0.000 2.350 667 V HA 0.389 4.523 4.120 0.024 0.000 0.285 667 V C -2.145 174.008 176.094 0.099 0.000 1.014 667 V CA -1.500 60.832 62.300 0.054 0.000 0.831 667 V CB 1.425 33.252 31.823 0.007 0.000 1.000 667 V HN 0.550 nan 8.190 nan 0.000 0.433 668 P HA 0.276 nan 4.420 nan 0.000 0.278 668 P C 0.060 177.382 177.300 0.036 0.000 1.266 668 P CA -0.382 62.732 63.100 0.024 0.000 0.807 668 P CB 1.414 33.118 31.700 0.007 0.000 1.094 669 C N -0.043 119.255 119.300 -0.004 0.000 2.641 669 C HA 0.738 5.212 4.460 0.024 0.000 0.318 669 C C 1.226 176.222 174.990 0.011 0.000 1.490 669 C CA 1.577 60.599 59.018 0.006 0.000 2.260 669 C CB -0.595 27.129 27.740 -0.028 0.000 2.103 669 C HN 0.934 nan 8.230 nan 0.000 0.641 670 G N 0.727 109.532 108.800 0.009 0.000 2.247 670 G HA2 -0.031 3.943 3.960 0.024 0.000 0.229 670 G HA3 -0.031 3.943 3.960 0.024 0.000 0.229 670 G C -0.712 174.198 174.900 0.017 0.000 1.345 670 G CA -0.045 45.059 45.100 0.008 0.000 1.100 670 G HN 0.996 nan 8.290 nan 0.000 0.473 671 N N 1.357 120.072 118.700 0.025 0.000 2.739 671 N HA 0.156 4.911 4.740 0.024 0.000 0.266 671 N C 1.324 176.867 175.510 0.054 0.000 1.168 671 N CA -0.617 52.451 53.050 0.031 0.000 1.055 671 N CB -0.139 38.368 38.487 0.033 0.000 1.393 671 N HN 0.369 nan 8.380 nan 0.000 0.514 672 I N 1.925 122.516 120.570 0.035 0.000 2.614 672 I HA -0.177 4.007 4.170 0.024 0.000 0.258 672 I C 2.308 178.425 176.117 -0.001 0.000 1.189 672 I CA 0.631 61.953 61.300 0.037 0.000 1.462 672 I CB -1.256 36.735 38.000 -0.016 0.000 1.092 672 I HN 0.487 nan 8.210 nan 0.000 0.442 673 A N 0.549 123.363 122.820 -0.009 0.000 2.070 673 A HA -0.250 4.085 4.320 0.024 0.000 0.220 673 A C 2.036 179.639 177.584 0.031 0.000 1.159 673 A CA 1.793 53.821 52.037 -0.015 0.000 0.656 673 A CB -0.607 18.384 19.000 -0.015 0.000 0.800 673 A HN 0.400 nan 8.150 nan 0.000 0.453 674 D N 0.286 120.733 120.400 0.078 0.000 2.178 674 D HA -0.136 4.519 4.640 0.024 0.000 0.201 674 D C 1.499 177.890 176.300 0.151 0.000 0.980 674 D CA 1.719 55.796 54.000 0.128 0.000 0.842 674 D CB -0.151 40.763 40.800 0.191 0.000 0.948 674 D HN 0.649 nan 8.370 nan 0.000 0.472 675 I N -4.378 116.296 120.570 0.173 0.000 4.403 675 I HA 0.485 4.669 4.170 0.024 0.000 0.331 675 I C 1.868 178.106 176.117 0.201 0.000 1.327 675 I CA -0.103 61.327 61.300 0.215 0.000 1.175 675 I CB 0.100 38.289 38.000 0.315 0.000 1.165 675 I HN -0.107 nan 8.210 nan 0.000 0.413 676 A N 1.399 124.250 122.820 0.053 0.000 2.024 676 A HA -0.163 4.171 4.320 0.024 0.000 0.220 676 A C 1.465 179.020 177.584 -0.048 0.000 1.164 676 A CA 2.073 54.010 52.037 -0.167 0.000 0.643 676 A CB -0.476 18.355 19.000 -0.281 0.000 0.806 676 A HN 0.527 nan 8.150 nan 0.000 0.451 677 D N -0.836 119.568 120.400 0.008 0.000 2.462 677 D HA 0.048 4.702 4.640 0.024 0.000 0.221 677 D C -0.191 176.134 176.300 0.041 0.000 1.173 677 D CA -0.215 53.794 54.000 0.015 0.000 0.831 677 D CB -0.165 40.633 40.800 -0.002 0.000 1.001 677 D HN 0.332 nan 8.370 nan 0.000 0.499 678 N N 1.018 119.759 118.700 0.067 0.000 2.411 678 N HA 0.046 4.800 4.740 0.024 0.000 0.259 678 N C 1.352 176.892 175.510 0.050 0.000 1.103 678 N CA 0.016 53.102 53.050 0.061 0.000 0.954 678 N CB 1.507 40.042 38.487 0.080 0.000 1.085 678 N HN 0.014 nan 8.380 nan 0.000 0.485 679 G N 3.303 112.132 108.800 0.049 0.000 2.418 679 G HA2 -0.256 3.719 3.960 0.024 0.000 0.217 679 G HA3 -0.256 3.719 3.960 0.024 0.000 0.217 679 G C 0.961 175.904 174.900 0.073 0.000 1.158 679 G CA 0.537 45.670 45.100 0.054 0.000 0.771 679 G HN 0.602 nan 8.290 nan 0.000 0.545 680 D N 1.105 121.550 120.400 0.074 0.000 2.123 680 D HA -0.056 4.598 4.640 0.024 0.000 0.196 680 D C 2.815 179.084 176.300 -0.051 0.000 0.992 680 D CA 1.280 55.348 54.000 0.112 0.000 0.833 680 D CB -0.537 40.397 40.800 0.223 0.000 0.954 680 D HN 0.313 nan 8.370 nan 0.000 0.455 681 A N 1.367 123.981 122.820 -0.343 0.000 1.877 681 A HA -0.212 4.122 4.320 0.024 0.000 0.216 681 A C 2.015 179.406 177.584 -0.322 0.000 1.186 681 A CA 1.453 53.078 52.037 -0.688 0.000 0.620 681 A CB -0.585 17.981 19.000 -0.722 0.000 0.822 681 A HN 0.165 nan 8.150 nan 0.000 0.443 682 N N -1.501 117.163 118.700 -0.060 0.000 2.104 682 N HA -0.209 4.545 4.740 0.024 0.000 0.190 682 N C 1.706 177.210 175.510 -0.010 0.000 1.024 682 N CA 1.907 54.971 53.050 0.024 0.000 0.853 682 N CB -0.497 38.069 38.487 0.132 0.000 1.008 682 N HN 0.710 nan 8.380 nan 0.000 0.424 683 Y N 0.459 120.723 120.300 -0.060 0.000 2.293 683 Y HA -0.241 4.324 4.550 0.024 0.000 0.291 683 Y C 2.403 178.251 175.900 -0.087 0.000 1.137 683 Y CA 1.047 59.108 58.100 -0.064 0.000 1.202 683 Y CB -0.295 38.136 38.460 -0.049 0.000 0.990 683 Y HN 0.013 nan 8.280 nan 0.000 0.537 684 Y N 0.411 120.576 120.300 -0.224 0.000 2.128 684 Y HA -0.317 4.248 4.550 0.024 0.000 0.284 684 Y C 2.026 177.724 175.900 -0.337 0.000 1.154 684 Y CA 2.109 60.052 58.100 -0.262 0.000 1.149 684 Y CB -0.449 37.857 38.460 -0.257 0.000 0.976 684 Y HN 0.119 nan 8.280 nan 0.000 0.505 685 L N -1.166 119.966 121.223 -0.152 0.000 2.109 685 L HA -0.238 4.116 4.340 0.024 0.000 0.207 685 L C 2.419 179.162 176.870 -0.211 0.000 1.086 685 L CA 1.296 56.031 54.840 -0.176 0.000 0.760 685 L CB -0.521 41.394 42.059 -0.240 0.000 0.910 685 L HN 0.282 nan 8.230 nan 0.000 0.437 686 M N -0.491 118.931 119.600 -0.297 0.000 2.117 686 M HA -0.236 4.258 4.480 0.024 0.000 0.262 686 M C 2.272 178.314 176.300 -0.430 0.000 1.065 686 M CA 1.777 56.895 55.300 -0.304 0.000 1.114 686 M CB -0.380 32.037 32.600 -0.304 0.000 1.361 686 M HN 0.223 nan 8.290 nan 0.000 0.408 687 E N 0.518 120.266 120.200 -0.753 0.000 2.047 687 E HA -0.175 4.190 4.350 0.024 0.000 0.191 687 E C 2.006 178.234 176.600 -0.620 0.000 0.987 687 E CA 1.235 57.152 56.400 -0.805 0.000 0.799 687 E CB 0.012 29.180 29.700 -0.886 0.000 0.752 687 E HN 0.465 nan 8.360 nan 0.000 0.449 688 A N 0.360 122.937 122.820 -0.404 0.000 1.940 688 A HA -0.218 4.116 4.320 0.024 0.000 0.219 688 A C 2.039 179.518 177.584 -0.174 0.000 1.176 688 A CA 1.539 53.436 52.037 -0.232 0.000 0.631 688 A CB -0.917 18.002 19.000 -0.135 0.000 0.814 688 A HN 0.561 nan 8.150 nan 0.000 0.446 689 Y N 0.491 120.629 120.300 -0.270 0.000 2.163 689 Y HA -0.196 4.369 4.550 0.024 0.000 0.288 689 Y C 2.398 178.174 175.900 -0.207 0.000 1.136 689 Y CA 2.294 60.268 58.100 -0.210 0.000 1.147 689 Y CB -0.295 38.057 38.460 -0.180 0.000 0.987 689 Y HN 0.320 nan 8.280 nan 0.000 0.509 690 K N -0.592 119.679 120.400 -0.214 0.000 2.113 690 K HA -0.253 4.082 4.320 0.024 0.000 0.208 690 K C 1.109 177.594 176.600 -0.192 0.000 1.047 690 K CA 2.186 58.322 56.287 -0.252 0.000 0.928 690 K CB -0.471 31.849 32.500 -0.300 0.000 0.716 690 K HN 0.593 nan 8.250 nan 0.000 0.446 691 H N 0.163 119.109 119.070 -0.207 0.000 2.536 691 H HA 0.183 4.754 4.556 0.024 0.000 0.276 691 H C -0.013 175.152 175.328 -0.272 0.000 1.019 691 H CA 0.193 56.117 56.048 -0.206 0.000 1.159 691 H CB 0.118 29.756 29.762 -0.207 0.000 1.373 691 H HN 0.135 nan 8.280 nan 0.000 0.584 692 L N -0.248 120.826 121.223 -0.248 0.000 4.291 692 L HA -0.275 4.080 4.340 0.024 0.000 0.413 692 L C -0.290 176.324 176.870 -0.426 0.000 1.162 692 L CA 0.568 55.171 54.840 -0.394 0.000 0.961 692 L CB -1.792 40.014 42.059 -0.421 0.000 2.095 692 L HN 0.292 nan 8.230 nan 0.000 0.838 693 K N 0.875 121.091 120.400 -0.307 0.000 2.185 693 K HA 0.448 4.783 4.320 0.024 0.000 0.271 693 K C -2.123 174.344 176.600 -0.221 0.000 1.013 693 K CA -1.728 54.400 56.287 -0.266 0.000 0.943 693 K CB 0.602 32.999 32.500 -0.171 0.000 0.998 693 K HN -0.203 nan 8.250 nan 0.000 0.468 694 P HA 0.080 nan 4.420 nan 0.000 0.268 694 P C -0.776 176.459 177.300 -0.108 0.000 1.205 694 P CA 0.322 63.323 63.100 -0.164 0.000 0.771 694 P CB 0.486 32.088 31.700 -0.163 0.000 0.858 695 I N 1.677 122.196 120.570 -0.085 0.000 2.582 695 I HA 0.636 4.821 4.170 0.024 0.000 0.292 695 I C -0.476 175.593 176.117 -0.079 0.000 1.066 695 I CA -0.801 60.466 61.300 -0.055 0.000 1.053 695 I CB 2.259 40.254 38.000 -0.009 0.000 1.241 695 I HN 0.257 nan 8.210 nan 0.000 0.421 696 A N 7.411 130.191 122.820 -0.067 0.000 2.343 696 A HA 0.877 5.212 4.320 0.024 0.000 0.308 696 A C -1.215 176.460 177.584 0.152 0.000 1.092 696 A CA -0.425 51.554 52.037 -0.098 0.000 0.751 696 A CB 1.105 19.867 19.000 -0.396 0.000 1.203 696 A HN 0.658 nan 8.150 nan 0.000 0.452 697 L N 2.396 123.773 121.223 0.256 0.000 2.372 697 L HA 0.668 5.022 4.340 0.024 0.000 0.274 697 L C 0.269 177.330 176.870 0.318 0.000 0.988 697 L CA -0.551 54.445 54.840 0.259 0.000 0.833 697 L CB 1.859 44.020 42.059 0.170 0.000 1.236 697 L HN 0.808 nan 8.230 nan 0.000 0.410 698 A N 2.494 125.421 122.820 0.179 0.000 2.305 698 A HA 0.853 5.187 4.320 0.024 0.000 0.322 698 A C 0.676 178.253 177.584 -0.013 0.000 1.187 698 A CA 0.423 52.428 52.037 -0.054 0.000 0.825 698 A CB 1.069 19.883 19.000 -0.309 0.000 1.164 698 A HN 0.996 nan 8.150 nan 0.000 0.498 699 G N 1.955 110.740 108.800 -0.026 0.000 2.550 699 G HA2 -0.287 3.687 3.960 0.024 0.000 0.277 699 G HA3 -0.287 3.687 3.960 0.024 0.000 0.277 699 G C 0.380 175.282 174.900 0.004 0.000 1.190 699 G CA 0.620 45.706 45.100 -0.023 0.000 0.971 699 G HN 0.680 nan 8.290 nan 0.000 0.559 700 D N 1.345 121.744 120.400 -0.001 0.000 2.348 700 D HA 0.251 4.905 4.640 0.024 0.000 0.216 700 D C 2.494 178.799 176.300 0.009 0.000 0.970 700 D CA 1.437 55.431 54.000 -0.009 0.000 0.889 700 D CB -0.553 40.234 40.800 -0.022 0.000 0.912 700 D HN 0.832 nan 8.370 nan 0.000 0.524 701 A N 0.491 123.355 122.820 0.073 0.000 2.172 701 A HA -0.130 4.204 4.320 0.024 0.000 0.216 701 A C 1.995 179.694 177.584 0.191 0.000 1.154 701 A CA 0.562 52.717 52.037 0.196 0.000 0.701 701 A CB -0.367 18.768 19.000 0.224 0.000 0.789 701 A HN 0.107 nan 8.150 nan 0.000 0.465 702 R N -0.292 120.263 120.500 0.092 0.000 2.328 702 R HA -0.050 4.304 4.340 0.024 0.000 0.207 702 R C 1.551 177.863 176.300 0.019 0.000 1.056 702 R CA 1.036 57.180 56.100 0.074 0.000 1.016 702 R CB -0.142 30.187 30.300 0.048 0.000 0.872 702 R HN 0.502 nan 8.270 nan 0.000 0.471 703 K N -0.274 120.091 120.400 -0.058 0.000 2.280 703 K HA -0.103 4.232 4.320 0.024 0.000 0.202 703 K C 1.128 177.610 176.600 -0.197 0.000 1.047 703 K CA 1.097 57.287 56.287 -0.162 0.000 0.942 703 K CB -0.024 32.316 32.500 -0.266 0.000 0.739 703 K HN 0.161 nan 8.250 nan 0.000 0.457 704 F N 1.406 121.331 119.950 -0.042 0.000 2.546 704 F HA -0.091 4.451 4.527 0.024 0.000 0.298 704 F C 1.845 177.594 175.800 -0.085 0.000 1.120 704 F CA 0.715 58.677 58.000 -0.062 0.000 1.456 704 F CB -0.037 38.926 39.000 -0.061 0.000 1.088 704 F HN -0.068 nan 8.300 nan 0.000 0.572 705 K N 0.420 120.866 120.400 0.076 0.000 2.113 705 K HA -0.231 4.103 4.320 0.024 0.000 0.208 705 K C 2.346 178.918 176.600 -0.047 0.000 1.047 705 K CA 1.287 57.570 56.287 -0.007 0.000 0.928 705 K CB -0.410 32.084 32.500 -0.011 0.000 0.716 705 K HN 0.274 nan 8.250 nan 0.000 0.446 706 A N 0.824 123.622 122.820 -0.037 0.000 1.933 706 A HA -0.166 4.169 4.320 0.024 0.000 0.218 706 A C 2.168 179.723 177.584 -0.048 0.000 1.175 706 A CA 2.053 54.061 52.037 -0.048 0.000 0.628 706 A CB -0.925 18.045 19.000 -0.050 0.000 0.814 706 A HN 0.290 nan 8.150 nan 0.000 0.444 707 T N 0.895 115.439 114.554 -0.017 0.000 2.720 707 T HA -0.149 4.216 4.350 0.024 0.000 0.268 707 T C 1.533 176.174 174.700 -0.099 0.000 1.037 707 T CA 1.722 63.816 62.100 -0.010 0.000 1.144 707 T CB -0.542 68.378 68.868 0.086 0.000 0.864 707 T HN 0.738 nan 8.240 nan 0.000 0.444 708 I N -1.926 118.530 120.570 -0.190 0.000 3.904 708 I HA 0.344 4.528 4.170 0.024 0.000 0.333 708 I C -0.318 175.550 176.117 -0.415 0.000 1.361 708 I CA -0.435 60.610 61.300 -0.425 0.000 1.116 708 I CB -0.165 37.396 38.000 -0.731 0.000 1.028 708 I HN -0.068 nan 8.210 nan 0.000 0.398 709 K N 2.068 122.343 120.400 -0.208 0.000 3.257 709 K HA -0.127 4.207 4.320 0.024 0.000 0.270 709 K C -0.324 176.199 176.600 -0.127 0.000 0.984 709 K CA 0.471 56.679 56.287 -0.132 0.000 0.739 709 K CB -1.525 30.922 32.500 -0.088 0.000 1.351 709 K HN 0.394 nan 8.250 nan 0.000 0.463 710 I N 0.528 121.021 120.570 -0.128 0.000 2.440 710 I HA 0.268 4.453 4.170 0.024 0.000 0.294 710 I C 1.406 177.501 176.117 -0.038 0.000 0.995 710 I CA -0.762 60.492 61.300 -0.076 0.000 1.306 710 I CB 0.900 38.858 38.000 -0.070 0.000 1.407 710 I HN 0.276 nan 8.210 nan 0.000 0.501 711 A N 4.702 127.513 122.820 -0.016 0.000 2.366 711 A HA 0.176 4.510 4.320 0.024 0.000 0.249 711 A C 1.004 178.585 177.584 -0.006 0.000 1.084 711 A CA -0.294 51.738 52.037 -0.009 0.000 0.794 711 A CB 0.145 19.145 19.000 -0.000 0.000 1.034 711 A HN 0.767 nan 8.150 nan 0.000 0.491 712 D N 0.245 120.642 120.400 -0.005 0.000 2.123 712 D HA -0.178 4.477 4.640 0.024 0.000 0.196 712 D C 1.812 178.113 176.300 0.002 0.000 0.992 712 D CA 1.776 55.774 54.000 -0.003 0.000 0.833 712 D CB -0.112 40.686 40.800 -0.003 0.000 0.954 712 D HN 0.767 nan 8.370 nan 0.000 0.455 713 Q N 1.279 121.081 119.800 0.003 0.000 2.482 713 Q HA 0.087 4.441 4.340 0.024 0.000 0.209 713 Q C 0.746 176.751 176.000 0.008 0.000 0.961 713 Q CA 1.022 56.828 55.803 0.006 0.000 0.945 713 Q CB -0.066 28.675 28.738 0.006 0.000 1.012 713 Q HN 0.161 nan 8.270 nan 0.000 0.515 714 G N 1.318 110.123 108.800 0.007 0.000 2.725 714 G HA2 -0.265 3.709 3.960 0.024 0.000 0.220 714 G HA3 -0.265 3.709 3.960 0.024 0.000 0.220 714 G C -1.096 173.810 174.900 0.011 0.000 1.357 714 G CA -0.111 44.994 45.100 0.009 0.000 0.866 714 G HN 0.680 nan 8.290 nan 0.000 0.548 715 E N -0.904 119.303 120.200 0.012 0.000 2.375 715 E HA 0.515 4.879 4.350 0.024 0.000 0.280 715 E C -0.802 175.798 176.600 0.001 0.000 0.972 715 E CA -0.977 55.432 56.400 0.015 0.000 0.782 715 E CB 1.326 31.050 29.700 0.040 0.000 1.229 715 E HN 0.419 nan 8.360 nan 0.000 0.439 716 E N 1.106 121.298 120.200 -0.012 0.000 2.480 716 E HA 0.210 4.574 4.350 0.024 0.000 0.258 716 E C 0.897 177.462 176.600 -0.058 0.000 0.984 716 E CA 1.702 58.080 56.400 -0.037 0.000 0.930 716 E CB 0.940 30.616 29.700 -0.041 0.000 0.936 716 E HN 0.932 nan 8.360 nan 0.000 0.466 717 G N 2.870 111.621 108.800 -0.081 0.000 2.213 717 G HA2 -0.205 3.769 3.960 0.024 0.000 0.226 717 G HA3 -0.205 3.769 3.960 0.024 0.000 0.226 717 G C 0.157 175.012 174.900 -0.074 0.000 0.992 717 G CA -0.294 44.741 45.100 -0.109 0.000 0.632 717 G HN 0.412 nan 8.290 nan 0.000 0.511 718 I N 2.034 122.582 120.570 -0.038 0.000 2.382 718 I HA 0.489 4.674 4.170 0.024 0.000 0.286 718 I C 0.342 176.422 176.117 -0.061 0.000 1.002 718 I CA -1.068 60.216 61.300 -0.027 0.000 1.135 718 I CB 1.442 39.454 38.000 0.021 0.000 1.288 718 I HN -0.098 nan 8.210 nan 0.000 0.448 719 V N 7.358 127.198 119.914 -0.124 0.000 2.432 719 V HA 0.388 4.523 4.120 0.024 0.000 0.275 719 V C 0.158 176.206 176.094 -0.076 0.000 1.043 719 V CA -0.481 61.704 62.300 -0.192 0.000 0.925 719 V CB 1.242 32.792 31.823 -0.455 0.000 0.985 719 V HN 0.845 nan 8.190 nan 0.000 0.466 720 E N 4.240 124.473 120.200 0.054 0.000 2.308 720 E HA 0.870 5.235 4.350 0.024 0.000 0.275 720 E C -0.965 175.773 176.600 0.229 0.000 0.890 720 E CA -0.940 55.575 56.400 0.191 0.000 0.754 720 E CB 2.566 32.330 29.700 0.106 0.000 1.207 720 E HN 0.742 nan 8.360 nan 0.000 0.426 721 A N 2.082 125.067 122.820 0.274 0.000 2.599 721 A HA 0.392 4.726 4.320 0.024 0.000 0.290 721 A C -0.332 177.275 177.584 0.039 0.000 1.101 721 A CA -0.649 51.479 52.037 0.151 0.000 0.674 721 A CB 1.295 20.418 19.000 0.205 0.000 1.277 721 A HN 0.600 nan 8.150 nan 0.000 0.419 722 D N 0.492 120.895 120.400 0.005 0.000 2.149 722 D HA -0.015 4.639 4.640 0.024 0.000 0.198 722 D C 1.098 177.347 176.300 -0.086 0.000 0.990 722 D CA 2.398 56.380 54.000 -0.030 0.000 0.839 722 D CB 0.054 40.841 40.800 -0.022 0.000 0.948 722 D HN 0.748 nan 8.370 nan 0.000 0.460 723 S N -1.981 113.636 115.700 -0.138 0.000 2.651 723 S HA 0.647 5.131 4.470 0.024 0.000 0.279 723 S C 0.190 174.513 174.600 -0.463 0.000 1.148 723 S CA -0.316 57.746 58.200 -0.230 0.000 0.837 723 S CB 1.980 65.095 63.200 -0.142 0.000 1.138 723 S HN -0.041 nan 8.310 nan 0.000 0.478 724 A N 0.820 123.301 122.820 -0.565 0.000 2.276 724 A HA 0.232 4.566 4.320 0.024 0.000 0.212 724 A C 0.739 178.145 177.584 -0.297 0.000 1.230 724 A CA 0.525 52.027 52.037 -0.891 0.000 0.844 724 A CB -1.178 17.425 19.000 -0.661 0.000 0.860 724 A HN 0.903 nan 8.150 nan 0.000 0.486 725 D N -1.505 118.794 120.400 -0.168 0.000 2.469 725 D HA 0.447 5.101 4.640 0.024 0.000 0.278 725 D C 1.128 177.447 176.300 0.032 0.000 1.231 725 D CA 0.423 54.400 54.000 -0.038 0.000 1.075 725 D CB -0.253 40.522 40.800 -0.041 0.000 1.121 725 D HN 0.654 nan 8.370 nan 0.000 0.571 726 G N -0.058 108.763 108.800 0.034 0.000 2.611 726 G HA2 -0.329 3.646 3.960 0.024 0.000 0.301 726 G HA3 -0.329 3.646 3.960 0.024 0.000 0.301 726 G C 0.863 175.811 174.900 0.080 0.000 1.233 726 G CA 1.968 47.097 45.100 0.048 0.000 0.993 726 G HN 1.355 nan 8.290 nan 0.000 0.553 727 S N -0.122 115.632 115.700 0.090 0.000 2.593 727 S HA 0.319 4.803 4.470 0.024 0.000 0.217 727 S C 1.834 176.509 174.600 0.125 0.000 0.966 727 S CA 1.085 59.335 58.200 0.083 0.000 0.914 727 S CB -0.020 63.211 63.200 0.053 0.000 0.776 727 S HN 0.993 nan 8.310 nan 0.000 0.523 728 F N 2.651 122.599 119.950 -0.003 0.000 2.065 728 F HA -0.125 4.416 4.527 0.024 0.000 0.298 728 F C 2.221 178.018 175.800 -0.005 0.000 1.112 728 F CA 1.793 59.791 58.000 -0.003 0.000 1.212 728 F CB -0.232 38.767 39.000 -0.002 0.000 0.975 728 F HN 0.166 nan 8.300 nan 0.000 0.476 729 M N 0.011 119.765 119.600 0.257 0.000 2.254 729 M HA -0.150 4.344 4.480 0.024 0.000 0.265 729 M C 1.759 178.063 176.300 0.007 0.000 1.066 729 M CA 1.267 56.633 55.300 0.109 0.000 1.123 729 M CB -1.322 31.366 32.600 0.147 0.000 1.388 729 M HN 0.132 nan 8.290 nan 0.000 0.425 730 D N 0.479 120.892 120.400 0.022 0.000 2.144 730 D HA -0.139 4.516 4.640 0.024 0.000 0.199 730 D C 1.948 178.224 176.300 -0.038 0.000 0.984 730 D CA 1.111 55.108 54.000 -0.005 0.000 0.834 730 D CB -0.097 40.708 40.800 0.008 0.000 0.955 730 D HN 0.470 nan 8.370 nan 0.000 0.465 731 E N 0.342 120.504 120.200 -0.063 0.000 2.072 731 E HA -0.104 4.260 4.350 0.024 0.000 0.191 731 E C 2.092 178.607 176.600 -0.141 0.000 0.985 731 E CA 0.186 56.527 56.400 -0.098 0.000 0.801 731 E CB -0.023 29.609 29.700 -0.113 0.000 0.750 731 E HN 0.140 nan 8.360 nan 0.000 0.452 732 L N 0.995 122.095 121.223 -0.204 0.000 2.046 732 L HA -0.144 4.210 4.340 0.024 0.000 0.208 732 L C 2.043 178.841 176.870 -0.120 0.000 1.077 732 L CA 1.564 56.279 54.840 -0.209 0.000 0.747 732 L CB -0.434 41.455 42.059 -0.284 0.000 0.896 732 L HN 0.238 nan 8.230 nan 0.000 0.432 733 L N -0.454 120.720 121.223 -0.082 0.000 2.201 733 L HA -0.175 4.180 4.340 0.024 0.000 0.212 733 L C 2.418 179.261 176.870 -0.044 0.000 1.105 733 L CA 1.286 56.096 54.840 -0.050 0.000 0.775 733 L CB -0.594 41.447 42.059 -0.030 0.000 0.913 733 L HN 0.241 nan 8.230 nan 0.000 0.440 734 T N 0.028 114.552 114.554 -0.050 0.000 2.821 734 T HA -0.110 4.254 4.350 0.024 0.000 0.267 734 T C 1.944 176.612 174.700 -0.054 0.000 1.046 734 T CA 1.045 63.121 62.100 -0.040 0.000 1.139 734 T CB -0.128 68.717 68.868 -0.038 0.000 0.871 734 T HN 0.193 nan 8.240 nan 0.000 0.454 735 L N 0.346 121.519 121.223 -0.085 0.000 2.017 735 L HA -0.070 4.284 4.340 0.024 0.000 0.208 735 L C 2.708 179.515 176.870 -0.106 0.000 1.073 735 L CA 1.323 56.094 54.840 -0.115 0.000 0.745 735 L CB -0.573 41.397 42.059 -0.147 0.000 0.894 735 L HN 0.296 nan 8.230 nan 0.000 0.432 736 M N -0.566 118.986 119.600 -0.079 0.000 2.149 736 M HA -0.193 4.302 4.480 0.024 0.000 0.261 736 M C 2.437 178.739 176.300 0.002 0.000 1.064 736 M CA 1.810 57.083 55.300 -0.045 0.000 1.102 736 M CB -0.517 32.065 32.600 -0.030 0.000 1.369 736 M HN 0.329 nan 8.290 nan 0.000 0.408 737 A N 0.087 122.909 122.820 0.002 0.000 2.015 737 A HA 0.097 4.431 4.320 0.024 0.000 0.219 737 A C 2.151 179.776 177.584 0.068 0.000 1.163 737 A CA 1.574 53.632 52.037 0.036 0.000 0.646 737 A CB -0.579 18.435 19.000 0.024 0.000 0.806 737 A HN 0.496 nan 8.150 nan 0.000 0.448 738 A N -2.603 120.236 122.820 0.032 0.000 2.251 738 A HA 0.350 4.685 4.320 0.024 0.000 0.209 738 A C 0.929 178.546 177.584 0.056 0.000 1.187 738 A CA 1.292 53.363 52.037 0.057 0.000 0.823 738 A CB -0.444 18.546 19.000 -0.016 0.000 0.846 738 A HN 0.984 nan 8.150 nan 0.000 0.486 739 H N -1.492 117.520 119.070 -0.096 0.000 4.823 739 H HA -0.174 4.397 4.556 0.024 0.000 0.064 739 H C 0.034 175.146 175.328 -0.360 0.000 0.599 739 H CA 2.280 58.254 56.048 -0.125 0.000 0.956 739 H CB -0.636 29.163 29.762 0.063 0.000 0.432 739 H HN 0.446 nan 8.280 nan 0.000 0.798 740 R N -0.223 119.722 120.500 -0.924 0.000 2.836 740 R HA 0.627 4.981 4.340 0.024 0.000 0.269 740 R C -0.679 174.775 176.300 -1.410 0.000 1.010 740 R CA -0.306 55.002 56.100 -1.320 0.000 0.930 740 R CB 1.797 30.979 30.300 -1.864 0.000 1.218 740 R HN 0.076 nan 8.270 nan 0.000 0.473 741 V N 2.444 121.754 119.914 -1.006 0.000 2.174 741 V HA 0.103 4.238 4.120 0.024 0.000 0.259 741 V C 0.675 176.378 176.094 -0.651 0.000 1.261 741 V CA -0.440 61.441 62.300 -0.699 0.000 1.137 741 V CB -0.332 31.228 31.823 -0.438 0.000 1.290 741 V HN 0.717 nan 8.190 nan 0.000 0.486 742 W N 1.555 122.562 121.300 -0.488 0.000 2.364 742 W HA -0.202 4.472 4.660 0.024 0.000 0.281 742 W C 2.546 178.843 176.519 -0.371 0.000 1.219 742 W CA 0.894 57.858 57.345 -0.634 0.000 1.220 742 W CB -0.501 28.128 29.460 -1.384 0.000 1.127 742 W HN 0.652 nan 8.180 nan 0.000 0.556 743 S N 0.867 116.510 115.700 -0.096 0.000 2.469 743 S HA -0.191 4.294 4.470 0.024 0.000 0.238 743 S C 1.726 176.285 174.600 -0.068 0.000 0.998 743 S CA 1.047 59.215 58.200 -0.053 0.000 0.957 743 S CB -0.456 62.716 63.200 -0.048 0.000 0.764 743 S HN 0.421 nan 8.310 nan 0.000 0.514 744 R N 0.434 120.852 120.500 -0.137 0.000 2.307 744 R HA 0.268 4.623 4.340 0.024 0.000 0.199 744 R C 1.775 178.006 176.300 -0.114 0.000 1.000 744 R CA 0.360 56.359 56.100 -0.168 0.000 1.023 744 R CB -0.319 29.770 30.300 -0.352 0.000 0.908 744 R HN 0.498 nan 8.270 nan 0.000 0.473 745 I N 1.711 122.255 120.570 -0.043 0.000 2.163 745 I HA -0.199 3.985 4.170 0.024 0.000 0.243 745 I C -0.807 175.332 176.117 0.037 0.000 1.085 745 I CA 1.185 62.501 61.300 0.027 0.000 1.347 745 I CB -0.782 37.281 38.000 0.106 0.000 1.044 745 I HN 0.134 nan 8.210 nan 0.000 0.408 746 P HA -0.136 nan 4.420 nan 0.000 0.222 746 P C 1.198 178.526 177.300 0.046 0.000 1.147 746 P CA 1.315 64.443 63.100 0.047 0.000 0.790 746 P CB -0.003 31.723 31.700 0.043 0.000 0.780 747 K N -0.035 120.386 120.400 0.035 0.000 2.155 747 K HA -0.009 4.326 4.320 0.024 0.000 0.203 747 K C 2.028 178.683 176.600 0.091 0.000 1.052 747 K CA 0.888 57.216 56.287 0.068 0.000 0.948 747 K CB -0.894 31.662 32.500 0.092 0.000 0.728 747 K HN 0.300 nan 8.250 nan 0.000 0.448 748 I N -2.108 118.483 120.570 0.035 0.000 2.876 748 I HA -0.007 4.178 4.170 0.024 0.000 0.264 748 I C 1.422 177.579 176.117 0.065 0.000 1.204 748 I CA 1.126 62.452 61.300 0.042 0.000 1.485 748 I CB -0.154 37.817 38.000 -0.048 0.000 1.103 748 I HN -0.088 nan 8.210 nan 0.000 0.446 749 D N 2.751 123.190 120.400 0.064 0.000 2.271 749 D HA -0.229 4.425 4.640 0.024 0.000 0.207 749 D C 1.578 177.920 176.300 0.070 0.000 0.983 749 D CA 1.591 55.634 54.000 0.072 0.000 0.878 749 D CB 0.089 40.932 40.800 0.072 0.000 0.920 749 D HN 0.702 nan 8.370 nan 0.000 0.479 750 K N -0.717 119.723 120.400 0.067 0.000 2.501 750 K HA 0.223 4.557 4.320 0.024 0.000 0.204 750 K C 0.430 177.065 176.600 0.058 0.000 1.067 750 K CA -0.414 55.909 56.287 0.060 0.000 1.060 750 K CB 0.569 33.101 32.500 0.052 0.000 0.873 750 K HN 0.081 nan 8.250 nan 0.000 0.540 751 I N 4.091 124.702 120.570 0.069 0.000 2.588 751 I HA 0.142 4.326 4.170 0.024 0.000 0.283 751 I C -2.115 174.034 176.117 0.054 0.000 1.119 751 I CA -2.220 59.118 61.300 0.063 0.000 1.419 751 I CB 1.042 39.098 38.000 0.094 0.000 1.394 751 I HN 0.089 nan 8.210 nan 0.000 0.562 752 P HA 0.375 nan 4.420 nan 0.000 0.251 752 P C -1.076 176.278 177.300 0.090 0.000 1.718 752 P CA -0.102 63.034 63.100 0.060 0.000 1.119 752 P CB 0.555 32.285 31.700 0.050 0.000 1.762 753 A N 0.000 122.875 122.820 0.091 0.000 2.254 753 A HA 0.000 4.334 4.320 0.024 0.000 0.244 753 A CA 0.000 52.129 52.037 0.154 0.000 0.836 753 A CB 0.000 18.990 19.000 -0.017 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486